SCHEMBL1676937

SCHEMBL1676937

O=S(=O)(Nc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
EGFR P00533 1/20 0.39
PPARD Q03181 1/20 0.37
ERBB2 P04626 4/20 0.36
DPP4 P27487 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
SDHB P21912 1/20 0.33
AHR P35869 1/20 0.33
KIF11 P52732 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL1676939 1.00 PPARA (0.40) PPARAPPARGEGFRPPARDERBB2
SCHEMBL1676509 0.92 KIF11 (0.43) PPARAEGFRERBB2CNR1CNR2
SCHEMBL1676510 0.92 KIF11 (0.43) PPARAEGFRERBB2CNR1CNR2
SCHEMBL1676486 0.91 PPARG (0.38) PPARAPPARGEGFRERBB2DPP4
SCHEMBL1676245 0.85 GCGR (0.39) PPARAPPARGEGFRPPARDERBB2
SCHEMBL1676243 0.85 GCGR (0.39) PPARAPPARGEGFRPPARDERBB2
SCHEMBL1676691 0.84 PLAU (0.35) PPARAPPARGEGFRERBB2DPP4
SCHEMBL1676649 0.84 PTPN1 (0.40) PPARAPPARGCNR1
SCHEMBL1676053 0.84 PTPN1 (0.40) PPARAPPARGCNR1
SCHEMBL1483842 0.84 PPARA (0.38) PPARAPPARG

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE PPARA 2606/4885PPARG 2054/4885EGFR 2135/4885

“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.