SCHEMBL872954

SCHEMBL872954

CC(C)(C)COC(=O)CO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.33
MIF P14174 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 1/20 0.30
BLM P54132 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
SCHEMBL28657073 0.97 CYP2C19 (0.33) CYP2C19KMT2AMIFLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL27557378 0.97 CYP2C19 (0.33) CYP2C19KMT2AMIFLMNAHSD17B10
SCHEMBL1070160 0.85
SCHEMBL7720073 0.84 SERPINE1 (0.39) LMNAHSD17B10ADRA2AADRA1AMGAM
SCHEMBL2485813 0.81 ADRA2A (0.42) CYP2C19KMT2AMIFLMNAHSD17B10
SCHEMBL722025 0.81 GAA (0.50) CYP2C19KMT2AMIFLMNAHSD17B10
SCHEMBL28292486 0.80 CYP4F2 (0.33) CYP2C19KMT2AMIFADRA2AADRA1A
SCHEMBL15892076 0.80 SERPINE1 (0.33)
SCHEMBL28570727 0.80 THRB (0.37) CYP2C19HSD17B10ADRA2AADRA1AMAPT
SCHEMBL12028701 0.79 LMNA (0.35) CYP2C19KMT2AMIFLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560934-A1 PROCESS FOR THE PREPARATION OF PURE 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF, INTERMEDIATES OF PERAMPANEL OR OF E2040 F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-10-30 EP claimed
US-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-05-18 US disclosed
EP-4116282-A1 METHOD FOR PRODUCING MONO-CROSS-COUPLED AROMATIC COMPOUND HAVING LEAVING GROUP National University Corporation Hokkaido University (JP) 2023-01-11 EP disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
CN-114630835-A Process for the preparation of peptide compounds comprising sterically bulky amino acids 中外制药株式会社 2022-06-14 CN disclosed
US-20210387994-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-12-16 US disclosed
CN-105829307-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2020-07-24 CN disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
EP-3560934-A1 PROCESS FOR THE PREPARATION OF PURE 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF, INTERMEDIATES OF PERAMPANEL OR OF E2040 F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-10-30 EP disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20050143369-A1 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2005-06-30 US disclosed
US-6908692-B1 Electrically conductive wire with curable coating including reactive particles based on element-oxygen network and binder which reacts with particle; cures to inorganic-organic-oxygen network with high partial discharge resistance E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-06-21 US disclosed
WO-2005030731-A1 GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2005-04-07 WO disclosed
EP-1503998-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LTD. (GB) 2005-02-09 EP disclosed
US-6849822-B2 Coating composition for metal conductors and coating process involving the use thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-02-01 US disclosed
US-20040159634-A1 Coating composition for metal conductors and coating process involving the use thereof E.I. DU PONT DE NEMOURS AND COMPANY 2004-08-19 US disclosed
WO-2003093252-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SULFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 WO disclosed
WO-2003057786-A1 COATING COMPOSITION FOR METAL CONDUCTORS AND COATING PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-17 WO disclosed
US-20030129396-A1 Coating composition for metal conductors and coating process involving the use thereof E.I. DU PONT DE NEMOURS AND COMPANY 2003-07-10 US disclosed
US-5106625-A Transparent, extendible, adhesive, retentive KAO CORPORATION (JP) 1992-04-21 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 (6 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2C19 1029/4885KMT2A 2475/4885MIF 349/4885
US-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group DDC, PAH, ATIC CYP2C19 364/4885KMT2A 357/4885MIF 4456/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2C19 1029/4885KMT2A 2475/4885MIF 349/4885
US-20210387994-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION MCCC2, CTRC, DDC CYP2C19 283/4885KMT2A 2354/4885MIF 4848/4885
US-20050143369-A1 Gamma-secretase inhibitors BACE1, BACE2, PSEN1 CYP2C19 3520/4885KMT2A 3046/4885MIF 3194/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CYP2C19 1029/4885KMT2A 2475/4885MIF 349/4885

“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.