SCHEMBL4654000

SCHEMBL4654000

COC(=O)c1sc2cc(F)ccc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 1/20 0.50
RAB9A P51151 3/20 0.48
IKBKB O14920 1/20 0.46
PTGS1 P23219 1/20 0.46
MAOB P27338 1/20 0.46
CASP3 P42574 1/20 0.46
GPER1 Q99527 1/20 0.46
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
CES2 O00748 1/20 0.44
TNF P01375 1/20 0.44
NR2F2 P24468 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL15619431 0.84 BCL2L1 (0.53) RAB9AKDM4ELMNAMAPK1HPGD
SCHEMBL31015908 0.84 BCKDK (0.49) BCKDKRAB9AIKBKBPTGS1MAOB
SCHEMBL693146 0.84 BCKDK (0.68) BCKDKRAB9APTGS1MAOBCASP3
SCHEMBL31015992 0.84 BCKDK (0.49) BCKDKRAB9AIKBKBPTGS1MAOB
SCHEMBL25208220 0.84 BCKDK (0.49) BCKDKRAB9AIKBKBPTGS1MAOB
SCHEMBL25211925 0.84 BCKDK (0.49) BCKDKRAB9AIKBKBPTGS1MAOB
SCHEMBL2955131 0.84 ALDH1A1 (0.64) BCKDKIKBKBKDM4EMAPK1HPGD
SCHEMBL10949281 0.83 MAPK1 (0.45) KDM4ELMNAMAPK1HPGDSMN1; SMN2
SCHEMBL4656286 0.83 CES2 (0.61) RAB9AKDM4ELMNAMAPK1HPGD
SCHEMBL2895162 0.83 BCKDK (0.67) BCKDKRAB9APTGS1MAOBCASP3

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 BCKDK 62/4885RAB9A 4479/4885IKBKB 1047/4885

“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.