SCHEMBL1676691

SCHEMBL1676691

O=S(=O)(CC(F)(F)F)Nc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
DPP4 P27487 1/20 0.34
FNTA P49354 1/20 0.34
PGGT1B P53609 1/20 0.34
ERBB2 P04626 2/20 0.34
S1PR5 Q9H228 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
EGFR P00533 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GCGR P47871 2/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
GRIN2B Q13224 2/20 0.32
GRIN1 Q05586 1/20 0.32
P2RX3 P56373 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL1676486 0.93 PPARG (0.38) DPP4ERBB2PPARGPPARAEGFR
SCHEMBL1676368 0.87 KDM4E (0.39) PPARGPPARAHDAC1HDAC8MEN1
SCHEMBL1676370 0.87 KDM4E (0.39) PPARGPPARAHDAC1HDAC8MEN1
SCHEMBL1676527 0.87 RAB9A (0.37) MEN1KMT2A
SCHEMBL1676523 0.87 RAB9A (0.37) MEN1KMT2A
SCHEMBL1676780 0.86 HDAC1 (0.34) EGFRHDAC1HDAC8
SCHEMBL1676692 0.86 FNTA (0.40) DPP4FNTAPGGT1BERBB2S1PR5
SCHEMBL1676694 0.86 FNTA (0.40) DPP4FNTAPGGT1BERBB2S1PR5
SCHEMBL1480646 0.86 PTGS2 (0.41) DPP4FNTAPGGT1BERBB2S1PR5
SCHEMBL1480647 0.86 PTGS2 (0.41) DPP4FNTAPGGT1BERBB2S1PR5

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 PLAU 3307/4885PLAT 2064/4885DPP4 115/4885

“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.