SCHEMBL10144385

SCHEMBL10144385

CCc1cc2sc3cc(C)sc3c2s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 2/20 0.32
CYP1A2 P05177 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADORA1 P30542 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.31
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12651908 0.89 CYP1A2 (0.36) MAPK1CYP1A2TMIGD3CYP2C9ADORA1
SCHEMBL120586 0.82 PKM (0.50) PKMNPSR1RXFP1ALDH1A1
SCHEMBL16004512 0.80 MAPK1 (0.37) PKMNPSR1RXFP1MAPK1CYP1A2
SCHEMBL22674913 0.79 PKM (0.36) PKMNPSR1RXFP1
SCHEMBL15926111 0.78 GPR35 (0.35) PKMNPSR1RXFP1
SCHEMBL15275809 0.77 SELE (0.38) MAPK1CYP1A2TMIGD3CYP2C9ADORA1
SCHEMBL12651686 0.76 MAPK1 (0.33) MAPK1CYP1A2TMIGD3CYP2C9ADORA1
SCHEMBL18179593 0.75 CYP1A2 (0.35) MAPK1CYP1A2TMIGD3CYP2C9ADORA1
SCHEMBL18876157 0.75 MAPK1 (0.32) PKMNPSR1RXFP1MAPK1GAA
SCHEMBL22845454 0.75 MAPK1 (0.32) MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028441-A2 NEW POLY(HETEROARYLENE VINYLENE)S BASED ON DIKETOPYRROLOPYRROLE UNIVERSITY OF WASHINGTON (US) 2013-02-28 WO disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
US-7998540-B2 Substituted anthracenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-16 US disclosed
US-20070014934-A1 Substituted anthracenes MERCK PATENT GMBH (DE) 2007-01-18 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 PKM 1825/4885NPSR1 410/4885RXFP1 668/4885

“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.