SCHEMBL15545181

SCHEMBL15545181

O=C(OCc1cc(F)ccc1Cl)N1C=Cc2ncsc2C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.43
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SGMS2 Q8NHU3 1/20 0.34
P2RX7 Q99572 4/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL15544125 0.91 PTGDR2 (0.42) PTGDR2HTR2AHTR2CSLC6A4
SCHEMBL15543734 0.89 PTGDR2 (0.41) PTGDR2ALDH1A1
SCHEMBL15545593 0.86 PTGDR2 (0.45) PTGDR2
SCHEMBL15545165 0.85 CASP3 (0.40) PTGDR2ALDH1A1L3MBTL1
SCHEMBL15544959 0.84 PTGDR2 (0.43) PTGDR2ALDH1A1L3MBTL1P2RX7
SCHEMBL15544325 0.83 GRIN2B (0.39) PTGDR2ALDH1A1
SCHEMBL15544581 0.82 GRIN2B (0.41) PTGDR2ALDH1A1L3MBTL1
SCHEMBL15544063 0.82 PTGDR2 (0.41) PTGDR2L3MBTL1P2RX7
SCHEMBL15543712 0.82 GRIN2B (0.43) PTGDR2
SCHEMBL15545093 0.81 PTGDR2 (0.38) PTGDR2ALDH1A1ALOX15L3MBTL1

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 3/4885ALDH1A1 1392/4885ALOX15 34/4885

“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.