SCHEMBL772012

SCHEMBL772012

O=C(O)NC(Cc1ccc(OCc2ccccc2)cc1)c1nccs1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.52
CTSA P10619 1/20 0.48
CCR3 P51677 1/20 0.48
PPARG P37231 3/20 0.47
PPARA Q07869 2/20 0.47
PTPN1 P18031 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
LTA4H P09960 1/20 0.46
GPR34 Q9UPC5 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL772011 1.00 PTPRB (0.52) PTPRBCTSACCR3PPARGPPARA
SCHEMBL792620 0.87 PTPN1 (0.56) PTPRBPTPN1RAB9AMEN1KMT2A
SCHEMBL14572899 0.87 PTPN1 (0.56) PTPRBPTPN1RAB9AMEN1KMT2A
SCHEMBL27538929 0.82 CTSA (0.51) CTSAPPARGPPARANPC1RAB9A
SCHEMBL20586742 0.81 CCR3 (0.47) PTPRBCTSACCR3NPC1RAB9A
SCHEMBL19209330 0.81 CCR3 (0.47) PTPRBCTSACCR3NPC1RAB9A
SCHEMBL792960 0.78 LTA4H (0.53) CTSAPPARGPPARARAB9AFFAR1
SCHEMBL27538931 0.78 CTSA (0.46) CTSAPPARGPPARANPC1RAB9A
Hydrochloric Acid SCHEMBL772237 0.77 LTA4H (0.52) CTSAPPARGPPARARAB9AFFAR1
SCHEMBL10411484 0.76 PTPRB (0.55) PTPRBRAB9AMEN1KMT2A

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
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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 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
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 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 (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 PTPRB 526/4885CTSA 809/4885CCR3 2486/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PTPRB 526/4885CTSA 809/4885CCR3 2486/4885

“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.