SCHEMBL1481014

SCHEMBL1481014

O=C(O)CCCOc1ccc(C#Cc2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
ALB P02768 1/20 0.41
FFAR4 Q5NUL3 5/20 0.37
FFAR1 O14842 4/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
CYSLTR2 Q9NS75 3/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SERPINE1 P05121 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
SCHEMBL1481018 1.00 PPARA (0.42) PPARAALBFFAR4FFAR1PPARG
SCHEMBL1480705 0.94 FFAR1 (0.40) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL1480701 0.94 FFAR1 (0.40) PPARAALBFFAR4FFAR1CYSLTR2
SCHEMBL1481284 0.88 PTPN1 (0.38) FFAR4FFAR1PPARGRAB9AALDH1A1
SCHEMBL1481283 0.88 PTPN1 (0.38) FFAR4FFAR1PPARGRAB9AALDH1A1
SCHEMBL1481201 0.85 ALPL (0.35) FFAR4FFAR1RAB9A
SCHEMBL1481198 0.85 ALPL (0.35) FFAR4FFAR1RAB9A
SCHEMBL1481308 0.82 RELA (0.41) RAB9AMAPT
SCHEMBL1481310 0.82 RELA (0.41) RAB9AMAPT
SCHEMBL6532685 0.81 FFAR1 (0.38) PPARAALBFFAR4FFAR1PPARG

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 3 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-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US 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 PPARA 2236/4885ALB 1690/4885FFAR4 2604/4885
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.