SCHEMBL1481081

SCHEMBL1481081

COc1ccc(C#Cc2cccc(OCC(=O)O)c2)cc1C=Cc1nc(-c2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.43
CYP2C9 P11712 1/20 0.41
LPAR2 Q9HBW0 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL1481080 1.00 PTGDR2 (0.43) PTGDR2CYP2C9LPAR2FFAR1
SCHEMBL1480954 0.94 PTGDR2 (0.43) PTGDR2CYP2C9LPAR2FFAR1
SCHEMBL1480949 0.94 PTGDR2 (0.43) PTGDR2CYP2C9LPAR2FFAR1
SCHEMBL12829142 0.89 PTGDR2 (0.41) PTGDR2LPAR2FFAR1
SCHEMBL1481793 0.87 LPAR2 (0.42) PTGDR2CYP2C9LPAR2
SCHEMBL1481791 0.87 LPAR2 (0.42) PTGDR2CYP2C9LPAR2
SCHEMBL12828683 0.86 LPAR2 (0.41) PTGDR2LPAR2
SCHEMBL1481283 0.85 PTPN1 (0.38) PTGDR2FFAR1
SCHEMBL1481284 0.85 PTPN1 (0.38) PTGDR2FFAR1
SCHEMBL1480762 0.83 MEN1 (0.37) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ PTGDR2 1829/4885CYP2C9 704/4885LPAR2 2623/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PTGDR2 1829/4885CYP2C9 704/4885LPAR2 2623/4885

“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.