SCHEMBL1708843

SCHEMBL1708843

CC(C)(C)n1oc(=O)[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
FOLH1 Q04609 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM3 Q14832 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
DAO P14920 1/20 0.31
GRM2 Q14416 1/20 0.31
CSNK2A2 P19784 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10991555 0.60 CSNK2A2 (0.39) GRM5MEN1ALDH1A1CYP3A4MAPK1
SCHEMBL1833220 0.58 LMNA (0.44)
SCHEMBL7834416 0.57 GRM5 (0.42) GRM5KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL11681492 0.57 LMNA (0.39) CSNK2A2CSNK2BCSNK2A1
SCHEMBL10161341 0.55 DAO (0.31) MEN1ALDH1A1CYP2C19KMT2ADAO
SCHEMBL2031094 0.52 CSNK2A2 (0.41) MEN1ALDH1A1CYP3A4MAPK1BLM
SCHEMBL13515282 0.52
SCHEMBL633410 0.52 CSNK2A2 (0.41) MEN1ALDH1A1CYP3A4MAPK1BLM
SCHEMBL17716288 0.51 TOP2A (0.46) KDM4EALDH1A1CYP2C19TDP1
SCHEMBL12109538 0.50 RGS4 (0.36) BLMKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230257367-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST CHENGDU KANGHONG PHARMACEUTICAL CO., LTD. (CN) 2023-08-17 US disclosed
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-01 US disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
US-20220127302-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF BILE ACID DERIVATIVES INTERCEPT PHARMACEUTICALS, INC. 2022-04-28 US disclosed
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 US disclosed
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-04-21 US disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 US disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 GRM5 435/4885KDM4E 1066/4885MEN1 4184/4885
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GRM5 2645/4885KDM4E 1574/4885MEN1 4531/4885
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB GRM5 2380/4885KDM4E 4559/4885MEN1 153/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GRM5 2645/4885KDM4E 1574/4885MEN1 4531/4885
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 GRM5 1115/4885KDM4E 2050/4885MEN1 1545/4885
US-20220127302-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF BILE ACID DERIVATIVES SLC10A1, SLC10A2, CYP7A1 GRM5 1783/4885KDM4E 4833/4885MEN1 3064/4885
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GRM5 264/4885KDM4E 1789/4885MEN1 566/4885
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis PPARA, PPARG, PPARD GRM5 137/4885KDM4E 2269/4885MEN1 4753/4885
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA GRM5 442/4885KDM4E 4016/4885MEN1 4841/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C GRM5 2645/4885KDM4E 1574/4885MEN1 4531/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 GRM5 272/4885KDM4E 607/4885MEN1 2018/4885
US-20230257367-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST THRB, THRA, TSHR GRM5 763/4885KDM4E 4301/4885MEN1 1680/4885
US-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD GRM5 232/4885KDM4E 4292/4885MEN1 4826/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 GRM5 1115/4885KDM4E 2050/4885MEN1 1545/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.