SCHEMBL15545148

SCHEMBL15545148

O=C(OCc1c(F)cccc1F)N1C=Cc2ncsc2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.39
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
AGTR2 P50052 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GRIN2B Q13224 3/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.32
ALKBH1 Q13686 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL15545093 0.89 PTGDR2 (0.38) PTGDR2ALDH1A1TDP1KDM4EGAA
SCHEMBL15546005 0.88 PTGDR2 (0.41) PTGDR2TDP1GRIN2BALKBH1
SCHEMBL15544581 0.88 GRIN2B (0.41) PTGDR2MMP1MMP2MMP9MMP12
SCHEMBL15543712 0.85 GRIN2B (0.43) PTGDR2MMP1MMP2MMP9MMP12
SCHEMBL15544325 0.84 GRIN2B (0.39) PTGDR2ALDH1A1KDM4EGRIN2BKMT2A
SCHEMBL15543943 0.84 P2RX4 (0.40) PTGDR2ALDH1A1GRIN2BGAAKMT2A
SCHEMBL15543734 0.81 PTGDR2 (0.41) PTGDR2ALDH1A1TDP1GRIN2BALKBH1
SCHEMBL15544125 0.81 PTGDR2 (0.42) PTGDR2MMP1MMP2MMP9MMP12
SCHEMBL16765891 0.81 PTGDR2 (0.40) PTGDR2ALDH1A1GRIN2B
SCHEMBL15544063 0.81 PTGDR2 (0.41) PTGDR2KMT2AMEN1L3MBTL1

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 3/4885MMP1 3525/4885MMP2 3003/4885

“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.