SCHEMBL2266599

SCHEMBL2266599

O=Cc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
EPHX2 P34913 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
IKBKB O14920 1/20 0.48
RIPK1 Q13546 2/20 0.47
KDR P35968 1/20 0.46
GRIK1 P39086 3/20 0.45
TRPV1 Q8NER1 3/20 0.45
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MTOR P42345 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2266591 0.90 KMT2A (0.56) MEN1KMT2AKDRGRIK1TRPV1
SCHEMBL15653052 0.82 MEN1 (0.52) MEN1KMT2AKDRGRIK1TRPV1
SCHEMBL2268420 0.80 RAB9A (0.60) CA12CA1CA2CA9MEN1
SCHEMBL2265083 0.79 KDR (0.58) CA12CA1CA2CA9MEN1
SCHEMBL2267698 0.79 KMT2A (0.70) CA12CA1CA2CA9MEN1
SCHEMBL2350726 0.79 KDR (0.49) CA1CA2CA9MEN1KMT2A
SCHEMBL15652393 0.78 MEN1 (0.48) MEN1KMT2ATRPV1KDM4EMAPT
SCHEMBL2266595 0.78 BAZ1A (0.68) EPHX2MEN1KMT2AKDRTP53
SCHEMBL2267571 0.78 MAPT (0.60) CA12CA1CA2CA9MEN1
SCHEMBL2264595 0.77 RAB9A (0.62) MEN1KMT2AMTORMAPTRAB9A

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
EP-2091920-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI SA (FR) 2014-10-22 EP disclosed
US-8420824-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI (FR) 2013-04-16 US disclosed
US-8410286-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2013-04-02 US disclosed
US-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US disclosed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 US disclosed
EP-2091920-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE Sanofi-Aventis (FR) 2009-08-26 EP disclosed
WO-2008065282-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2008-06-05 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 (3 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-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 CA12 4509/4885CA1 2919/4885CA2 3041/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 CA12 4562/4885CA1 2839/4885CA2 3088/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 CA12 4509/4885CA1 2919/4885CA2 3041/4885

“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.