SCHEMBL15546005

SCHEMBL15546005

O=C(OCc1cccc(F)c1F)N1C=Cc2ncsc2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.41
GRIN2B Q13224 2/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
ALKBH1 Q13686 1/20 0.35
FFAR4 Q5NUL3 1/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR3 Q99500 1/20 0.32
AOC3 Q16853 1/20 0.31
DPP4 P27487 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL15544581 0.91 GRIN2B (0.41) PTGDR2GRIN2BTDP1
SCHEMBL15545148 0.88 PTGDR2 (0.39) PTGDR2GRIN2BALKBH1TDP1
SCHEMBL16765891 0.84 PTGDR2 (0.40) PTGDR2GRIN2B
SCHEMBL15544063 0.84 PTGDR2 (0.41) PTGDR2
SCHEMBL15545165 0.84 CASP3 (0.40) PTGDR2GRIN2BF13A1TGM2TGM1
SCHEMBL15543734 0.83 PTGDR2 (0.41) PTGDR2GRIN2BALKBH1TDP1
SCHEMBL15544125 0.83 PTGDR2 (0.42) PTGDR2ALKBH1
SCHEMBL15543712 0.82 GRIN2B (0.43) PTGDR2GRIN2B
SCHEMBL15545593 0.82 PTGDR2 (0.45) PTGDR2TDP1
SCHEMBL15544325 0.81 GRIN2B (0.39) PTGDR2GRIN2BS1PR5

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 3/4885GRIN2B 1386/4885F13A1 892/4885

“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.