SCHEMBL1676486

SCHEMBL1676486

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EGFR P00533 1/20 0.38
KIF11 P52732 3/20 0.36
ERBB2 P04626 4/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
DPP4 P27487 1/20 0.33
SDHB P21912 1/20 0.33
AHR P35869 1/20 0.32
MDM2 Q00987 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL1676691 0.93 PLAU (0.35) PPARGPPARAEGFRERBB2DPP4
SCHEMBL1676939 0.91 PPARA (0.40) PPARGPPARAEGFRKIF11ERBB2
SCHEMBL1676510 0.91 KIF11 (0.43) PPARAEGFRKIF11ERBB2CNR1
SCHEMBL1676509 0.91 KIF11 (0.43) PPARAEGFRKIF11ERBB2CNR1
SCHEMBL1676937 0.91 PPARA (0.40) PPARGPPARAEGFRKIF11ERBB2
SCHEMBL1676370 0.90 KDM4E (0.39) PPARGPPARA
SCHEMBL1676368 0.90 KDM4E (0.39) PPARGPPARA
SCHEMBL1676780 0.90 HDAC1 (0.34) EGFR
SCHEMBL1676344 0.88 DRD2 (0.41) PPARGPPARACNR1
SCHEMBL1676342 0.88 DRD2 (0.41) PPARGPPARACNR1

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 PPARG 2054/4885PPARA 2606/4885EGFR 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.