SCHEMBL15544699

SCHEMBL15544699

O=C(OCc1cccc(Cl)c1)N1C=Cc2ncsc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.43
HCAR2 Q8TDS4 1/20 0.40
ENPP2 Q13822 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
ATXN2 Q99700 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PKM P14618 1/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
NR4A2 P43354 1/20 0.37
ALOX5 P09917 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15543712 0.88 GRIN2B (0.43) PTGDR2HCAR2MMP1MMP2MMP9
SCHEMBL15545036 0.87 PTGDR2 (0.39) PTGDR2ENPP2ATXN2NR4A2ALDH1A1
SCHEMBL15543943 0.87 P2RX4 (0.40) PTGDR2ALDH1A1
SCHEMBL15545093 0.85 PTGDR2 (0.38) PTGDR2KDM4EALDH1A1
SCHEMBL15545593 0.83 PTGDR2 (0.45) PTGDR2
SCHEMBL15544959 0.83 PTGDR2 (0.43) PTGDR2ENPP2ATXN2PKMNR4A2
SCHEMBL15544063 0.81 PTGDR2 (0.41) PTGDR2PKM
SCHEMBL15545165 0.81 CASP3 (0.40) PTGDR2ENPP2MMP1MMP2MMP9
SCHEMBL15544325 0.81 GRIN2B (0.39) PTGDR2NR4A2S1PR5KDM4EALDH1A1
SCHEMBL15545148 0.81 PTGDR2 (0.39) PTGDR2MMP1MMP2MMP9MMP12

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
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 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-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 PTGDR2 3/4885HCAR2 54/4885ENPP2 192/4885

“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.