SCHEMBL4655112

SCHEMBL4655112

CCc1c(C(=O)OC)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CFTR P13569 1/20 0.44
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK1D P48730 5/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
DYRK1A Q13627 1/20 0.39
NOTUM Q6P988 1/20 0.39
MCL1 Q07820 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL1031697 0.90 ALDH1A1 (0.44) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL1035505 0.88 ALDH1A1 (0.43) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL1030581 0.86 ALDH1A1 (0.43) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL693338 0.83 MAPT (0.51) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL6844839 0.83 ALDH1A1 (0.48) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL717432 0.83 ALDH1A1 (0.48) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL31079664 0.82 ALDH1A1 (0.59) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL693546 0.82 ALDH1A1 (0.47) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL2961556 0.82 ALDH1A1 (0.59) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL1033653 0.80 ALDH1A1 (0.46) ALDH1A1CFTRMAPTNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 224/4885CFTR 2842/4885MAPT 1081/4885

“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.