SCHEMBL1687455

SCHEMBL1687455

CCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 4/20 0.49
ALDH1A1 P00352 1/20 0.49
DAO P14920 1/20 0.47
LMNA P02545 1/20 0.47
GPR84 Q9NQS5 1/20 0.45
THRB P10828 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
GRIN2B Q13224 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL9060027 0.98 TSHR (0.51) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL9425491 0.94 TSHR (0.49) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL9060389 0.94 TSHR (0.49) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL8513609 0.94 LTA4H (0.49) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL8990885 0.93 TSHR (0.47) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL8990653 0.93 TSHR (0.47) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL8379711 0.89 ACACB (0.52) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL7733396 0.89 TSHR (0.45) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL9060735 0.89 TSHR (0.45) TSHRSLC6A4SLC6A3ALDH1A1DAO
SCHEMBL9060736 0.89 TSHR (0.45) TSHRSLC6A4SLC6A3ALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11633385-B2 Combination compositions for treatment of cancer REDHILL BIOPHARMA LTD. (IL) 2023-04-25 US disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
EP-3265083-B1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDRENS RES HOSPITAL (US) 2022-07-06 EP disclosed
WO-2021236818-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2021-11-25 WO disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER REDHILL BIOPHARMA LTD (IL) 2021-05-06 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-7276348-B2 Compositions and methods relating to F1F0-ATPase inhibitors and targets thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-10-02 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070135418-A1 Compositions and methods relating to novel compounds and targets thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-06-14 US disclosed
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents MERCK SHARP & DOHME LLC 2007-04-26 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
CN-1871216-A Inhibitors of cathepsin s IRM LLC (BM) 2006-11-29 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 (11 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-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents GPR119, GLP1R, INSR TSHR 61/4885SLC6A4 4253/4885SLC6A3 4509/4885
US-20070135418-A1 Compositions and methods relating to novel compounds and targets thereof BAX, BAD, GABRB3 TSHR 2353/4885SLC6A4 2026/4885SLC6A3 1585/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 TSHR 4420/4885SLC6A4 4337/4885SLC6A3 4567/4885
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 TSHR 436/4885SLC6A4 2003/4885SLC6A3 1929/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE TSHR 4359/4885SLC6A4 3929/4885SLC6A3 2510/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP TSHR 3747/4885SLC6A4 3856/4885SLC6A3 3772/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP TSHR 3747/4885SLC6A4 3856/4885SLC6A3 3772/4885
US-11633385-B2 Combination compositions for treatment of cancer KRAS, TPMT, CYP2D6 TSHR 2471/4885SLC6A4 835/4885SLC6A3 226/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885SLC6A4 4814/4885SLC6A3 4786/4885
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER KRAS, TPMT, CYP2D6 TSHR 2471/4885SLC6A4 835/4885SLC6A3 226/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 TSHR 628/4885SLC6A4 1399/4885SLC6A3 1313/4885

“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.