SCHEMBL1481817

SCHEMBL1481817

CCn1cc(-c2ccc(Cl)cc2)nc1/C=C/c1ccc(-c2ccc(OCCCC(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.49
PPARA Q07869 3/20 0.45
ALB P02768 1/20 0.42
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 3/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PTGS2 P35354 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
PTGES O14684 1/20 0.39
DHODH Q02127 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
LTA4H P09960 1/20 0.38
CYP2C9 P11712 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
SCHEMBL1481819 1.00 AGER (0.49) AGERPPARAALBFFAR1FFAR4
SCHEMBL1481721 0.92 PPARA (0.52) PPARAALBFFAR1FFAR4CASP3
SCHEMBL1481717 0.92 PPARA (0.52) PPARAALBFFAR1FFAR4CASP3
SCHEMBL1481604 0.91 CASP3 (0.50) AGERPPARAALBFFAR1FFAR4
SCHEMBL1481600 0.91 CASP3 (0.50) AGERPPARAALBFFAR1FFAR4
SCHEMBL1481459 0.91 PTGS2 (0.47) AGERPPARAPTGS2PTGES
SCHEMBL1481454 0.91 PTGS2 (0.47) AGERPPARAPTGS2PTGES
SCHEMBL12754209 0.91 RARB (0.47) PPARAALBFFAR1CASP3SENP8
SCHEMBL1481325 0.90 MMP2 (0.50) AGERPPARAALBFFAR1CASP3
SCHEMBL1481323 0.90 MMP2 (0.50) AGERPPARAALBFFAR1CASP3

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-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-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP 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 AGER 1249/4885PPARA 2236/4885ALB 1690/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ AGER 1249/4885PPARA 2236/4885ALB 1690/4885

“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.