SCHEMBL1676272

SCHEMBL1676272

FC(F)(F)c1cccc(-c2ccc(/C=C/c3nc(-c4c(Cl)cccc4Cl)c[nH]3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.40
PTGS1 P23219 1/20 0.40
IDO1 P14902 1/20 0.38
TRPM2 O94759 1/20 0.37
XDH P47989 1/20 0.37
KDM1A O60341 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CTSS P25774 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
STAT6 P42226 1/20 0.37

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
SCHEMBL1676276 1.00 PTGES (0.40) PTGESPTGS1IDO1TRPM2XDH
SCHEMBL1677183 0.89 RORC (0.42) PTGESPTGS1IDO1TRPM2XDH
SCHEMBL1677182 0.89 RORC (0.42) PTGESPTGS1IDO1TRPM2XDH
SCHEMBL1676436 0.88 VCP (0.41) PTGESIDO1TRPM2XDHKDM1A
SCHEMBL1676433 0.88 VCP (0.41) PTGESIDO1TRPM2XDHKDM1A
SCHEMBL1676409 0.86 TRPM2 (0.44) IDO1TRPM2XDHNFE2L2CTSS
SCHEMBL1676406 0.86 TRPM2 (0.44) IDO1TRPM2XDHNFE2L2CTSS
SCHEMBL1676532 0.85 DPP4 (0.43) PTGESPTGS1IDO1TRPM2XDH
SCHEMBL1676530 0.85 DPP4 (0.43) PTGESPTGS1IDO1TRPM2XDH
SCHEMBL1482109 0.81 IDO1 (0.42) IDO1XDHKDM1ANFE2L2CTSS

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
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO 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 PTGES 1938/4885PTGS1 903/4885IDO1 500/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PTGES 1938/4885PTGS1 903/4885IDO1 500/4885

“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.