SCHEMBL1676509

SCHEMBL1676509

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.43
EGFR P00533 1/20 0.39
SLC2A2 P11168 5/20 0.38
TRPV1 Q8NER1 1/20 0.38
PPARA Q07869 1/20 0.37
PTGS2 P35354 1/20 0.37
SDHB P21912 1/20 0.37
GSK3B P49841 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ERBB2 P04626 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL1676510 1.00 KIF11 (0.43) KIF11EGFRSLC2A2TRPV1PPARA
SCHEMBL1676937 0.92 PPARA (0.40) KIF11EGFRPPARASDHBCNR1
SCHEMBL1676939 0.92 PPARA (0.40) KIF11EGFRPPARASDHBCNR1
SCHEMBL1676486 0.91 PPARG (0.38) KIF11EGFRPPARASDHBCNR1
SCHEMBL1483163 0.87 KDM4E (0.42) KIF11SLC2A2GSK3B
SCHEMBL1483160 0.87 KDM4E (0.42) KIF11SLC2A2GSK3B
SCHEMBL1676635 0.87 SLC2A2 (0.41) SLC2A2PTGS2GSK3B
SCHEMBL1676633 0.87 SLC2A2 (0.41) SLC2A2PTGS2GSK3B
SCHEMBL1481778 0.86 DRD2 (0.44) SLC2A2GSK3B
SCHEMBL1481774 0.86 DRD2 (0.44) SLC2A2GSK3B

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 4 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
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE KIF11 4022/4885EGFR 2135/4885SLC2A2 294/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE KIF11 4022/4885EGFR 2135/4885SLC2A2 294/4885

“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.