SCHEMBL2496926

SCHEMBL2496926

CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CSc2nnc(C)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 15/20 0.48
▸ TBXA2R P21731 4/20 0.48
▸ PTGDR Q13258 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ PTGIR P43119 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CETP P11597 1/20 0.45
▸ MAPT P10636 2/20 0.44

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
SCHEMBL2497708 0.91 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRALDH1A1HPGD
SCHEMBL12197402 0.89 ALDH1A1 (0.52) ALDH1A1HPGDCYP2C9NPC1RAB9A
SCHEMBL2505141 0.84 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2501971 0.82 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2502491 0.82 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2502525 0.81 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2500305 0.80 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL150599 0.80 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2496068 0.80 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL12197405 0.79 ALDH1A1 (0.54) PTGDR2ALDH1A1HPGDCYP2C9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524748-B2 Heteroalkyl biphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-09-03 — — US disclosed
US-8524748-B2 Heteroalkyl biphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-09-03 — — US disclosed
US-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-10-06 — — US disclosed
US-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-10-06 — — US disclosed
WO-2010042652-A2 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-15 — — WO disclosed
WO-2010042652-A2 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-15 — — 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-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 6/4885PTGDR 1/4885

“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.

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