SCHEMBL1481397

SCHEMBL1481397

O=C(O)Cc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 4/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
DPP4 P27487 1/20 0.37
ICMT O60725 1/20 0.37
BACE1 P56817 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
GCGR P47871 2/20 0.36
FNTA P49354 1/20 0.36
PGGT1B P53609 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ERBB2 P04626 1/20 0.36
TRPM2 O94759 1/20 0.36

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
SCHEMBL1481399 1.00 S1PR5 (0.42) S1PR5CYP3A4CYP2C19PDE4BPDE4D
SCHEMBL1481125 0.92 MEN1 (0.42) S1PR5DPP4FNTAPGGT1BTRPM2
SCHEMBL1481124 0.92 MEN1 (0.42) S1PR5DPP4FNTAPGGT1BTRPM2
SCHEMBL1481297 0.91 S1PR5 (0.38) S1PR5DPP4ICMTBACE1FNTA
SCHEMBL1481296 0.91 S1PR5 (0.38) S1PR5DPP4ICMTBACE1FNTA
SCHEMBL1676692 0.90 FNTA (0.40) S1PR5CYP3A4CYP2C19DPP4ICMT
SCHEMBL1676694 0.90 FNTA (0.40) S1PR5CYP3A4CYP2C19DPP4ICMT
SCHEMBL1676124 0.90 S1PR5 (0.39) S1PR5THRATHRBGCGRPTGDR2
SCHEMBL1676122 0.90 S1PR5 (0.39) S1PR5THRATHRBGCGRPTGDR2
SCHEMBL1676380 0.90 DPP4 (0.40) S1PR5DPP4ICMTFNTAPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP 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
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US 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 (4 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 S1PR5 2777/4885CYP3A4 1309/4885CYP2C19 616/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE S1PR5 3261/4885CYP3A4 583/4885CYP2C19 220/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE S1PR5 3261/4885CYP3A4 583/4885CYP2C19 220/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ S1PR5 2777/4885CYP3A4 1309/4885CYP2C19 616/4885

“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.