SCHEMBL1481580

SCHEMBL1481580

O=C(O)CCCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3CCCC(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
ALB P02768 1/20 0.41
FFAR4 Q5NUL3 6/20 0.41
FFAR1 O14842 6/20 0.41
CYSLTR2 Q9NS75 4/20 0.41
CYSLTR1 Q9Y271 4/20 0.41
CYP2C9 P11712 1/20 0.39
SCN5A Q14524 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
LTA4H P09960 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
AGER Q15109 1/20 0.37
MCL1 Q07820 2/20 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
SCHEMBL1481578 1.00 PPARA (0.41) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL1480837 0.95 FFAR1 (0.42) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL1480840 0.95 FFAR1 (0.42) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL1480599 0.93 FFAR4 (0.41) PPARAFFAR4FFAR1CYSLTR2CYSLTR1
SCHEMBL1480598 0.93 FFAR4 (0.41) PPARAFFAR4FFAR1CYSLTR2CYSLTR1
SCHEMBL1481594 0.92 FFAR4 (0.44) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL12735962 0.92 PPARG (0.43) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL1481591 0.92 FFAR4 (0.44) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL1480709 0.92 FFAR4 (0.39) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL1480711 0.92 FFAR4 (0.39) PPARAALBFFAR4FFAR1CYSLTR2

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 9 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-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 PPARA 2236/4885ALB 1690/4885FFAR4 2604/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE PPARA 2606/4885ALB 1100/4885FFAR4 2384/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PPARA 2606/4885ALB 1100/4885FFAR4 2384/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PPARA 2236/4885ALB 1690/4885FFAR4 2604/4885

“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.