SCHEMBL2896302

SCHEMBL2896302

COc1ccc2c(C)c(C(=O)O)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.63
GPR35 Q9HC97 1/20 0.57
RXFP1 Q9HBX9 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
PRNP P04156 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
PPARG P37231 1/20 0.56
HTT P42858 1/20 0.56
MAPK10 P53779 1/20 0.56
NCOA2 Q15596 1/20 0.56
TBXAS1 P24557 2/20 0.55
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MCL1 Q07820 2/20 0.49
BCL2L1 Q07817 1/20 0.49
DYRK1A Q13627 2/20 0.47

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
SCHEMBL3484085 0.87 GPR35 (0.57) CES2GPR35RXFP1NPSR1PRNP
SCHEMBL4656286 0.86 CES2 (0.61) CES2RXFP1NPSR1PRNPTSHR
SCHEMBL5453267 0.83 RXFP1 (0.76) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL7400876 0.83 MAPK1 (0.58) CES2RXFP1NPSR1PRNPTSHR
SCHEMBL15619574 0.81 MCL1 (0.71) CES2GPR35RXFP1NPSR1PRNP
SCHEMBL4654240 0.81 CES2 (0.56) CES2RXFP1NPSR1PRNPTSHR
SCHEMBL3493247 0.80 L3MBTL1 (0.56) CES2RXFP1NPSR1PRNPTSHR
SCHEMBL5306006 0.79 PRNP (0.51) CES2RXFP1NPSR1PRNPTSHR
SCHEMBL12153769 0.79 MCL1 (0.71) GPR35RXFP1NPSR1PRNPMAPK1
SCHEMBL2895162 0.79 BCKDK (0.67) CES2GPR35RXFP1NPSR1PRNP

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
EP-1740568-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORPORATION (US) 2007-01-10 EP disclosed
WO-2005077926-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed
US-4551468-A INDOLE, BENZOFURANS, BENZOTHIOPHENES PFIZER INC. (US) 1985-11-05 US disclosed
EP-0050957-B1 HETEROCYCLIC THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-08-22 EP disclosed
US-4410539-A Heterocyclic thromboxane synthetase inhibitors and pharmaceutical compositions containing them PFIZER INC. (US) 1983-10-18 US disclosed
EP-0050957-A1 Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-05-05 EP 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 (1 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-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease ABAT, BPTF, TNNT2 CES2 484/4885GPR35 1720/4885RXFP1 3376/4885

“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.