SCHEMBL14016232

SCHEMBL14016232

CCOC(=O)/C=C/c1cc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
MAPT P10636 3/20 0.41
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
MLYCD O95822 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6964344 0.84 IDO1 (0.43) ESR1MAPTTTRDPP4HSD17B1
SCHEMBL6964345 0.84 IDO1 (0.43) ESR1MAPTTTRDPP4HSD17B1
SCHEMBL3619193 0.81 PDE5A (0.46) ESR1KMT2AKDM4ECHRNA7
SCHEMBL3619198 0.81 PDE5A (0.46) ESR1KMT2AKDM4ECHRNA7
SCHEMBL6965217 0.80 CYP2A6 (0.47) MAPTTTRDPP4HSD17B1HSD17B2
SCHEMBL6965215 0.80 CYP2A6 (0.47) MAPTTTRDPP4HSD17B1HSD17B2
SCHEMBL29427191 0.79 TRPV1 (0.48) ESR1MAPTMEN1KMT2ANPSR1
SCHEMBL13503509 0.77 CHRNA7 (0.38) CHRNA7
SCHEMBL3901776 0.76 ESR1 (0.53) ESR1MAPTTTRDPP4MLYCD
SCHEMBL17969118 0.76 ESR1 (0.50) ESR1MAPTTTRDPP4MLYCD

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 3 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

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 ESR1 2254/4885MAPT 1081/4885TTR 445/4885

“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.