SCHEMBL792005

SCHEMBL792005

COCc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
SLC6A4 P31645 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 2/20 0.42
NAMPT P43490 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 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
SCHEMBL20795340 0.87 NAMPT (0.51) PTGS2ALDH1A1GAANAMPTSMN1; SMN2
SCHEMBL2007165 0.84 CA2 (0.55)
SCHEMBL14816008 0.84 ALDH1A1 (0.42) PTGS2ALDH1A1HSD17B10NAMPTRXFP1
SCHEMBL12747218 0.84 CYP4F2 (0.45) CYP4F2CYP4A11SLC6A4ALDH1A1GAA
SCHEMBL26133352 0.82 ALDH1A1 (0.46) CYP4F2CYP4A11SLC6A4ALDH1A1GAA
SCHEMBL12174276 0.81 NPC1 (0.47) CYP4F2CYP4A11SLC6A4ALDH1A1GAA
SCHEMBL12174375 0.81 ALDH1A1 (0.44) CYP4F2CYP4A11SLC6A4ALDH1A1GAA
SCHEMBL20999091 0.81 NAMPT (0.53) PTGS2ALDH1A1GAANAMPTSMN1; SMN2
SCHEMBL20698867 0.80 PTGS2 (0.47) PTGS2CYP4F2CYP4A11NAMPTSMN1; SMN2
SCHEMBL14030762 0.80 ALDH1A1 (0.56) CYP4F2CYP4A11SLC6A4ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PTGS2 2441/4885CYP4F2 1280/4885CYP4A11 765/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PTGS2 2441/4885CYP4F2 1280/4885CYP4A11 765/4885

“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.