SCHEMBL1677183

SCHEMBL1677183

FC(F)(F)c1cccc(-c2ccc(C=Cc3nc(-c4ccccc4Cl)c[nH]3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
TRPV1 Q8NER1 7/20 0.39
IDO1 P14902 1/20 0.39
TRPM2 O94759 1/20 0.38
MAOB P27338 1/20 0.38
ERBB2 P04626 1/20 0.38
PTGES O14684 1/20 0.37
PTGS1 P23219 1/20 0.37
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
XDH P47989 1/20 0.36
KDM1A O60341 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL1677182 1.00 RORC (0.42) RORCRORBTRPV1IDO1TRPM2
SCHEMBL1676530 0.90 DPP4 (0.43) RORCRORBTRPV1IDO1TRPM2
SCHEMBL1676532 0.90 DPP4 (0.43) RORCRORBTRPV1IDO1TRPM2
SCHEMBL1676272 0.89 PTGES (0.40) RORCRORBTRPV1IDO1TRPM2
SCHEMBL1676276 0.89 PTGES (0.40) RORCRORBTRPV1IDO1TRPM2
SCHEMBL1676409 0.87 TRPM2 (0.44) TRPV1IDO1TRPM2MAOBERBB2
SCHEMBL1676406 0.87 TRPM2 (0.44) TRPV1IDO1TRPM2MAOBERBB2
SCHEMBL1676436 0.86 VCP (0.41) IDO1TRPM2ERBB2PTGESXDH
SCHEMBL1676433 0.86 VCP (0.41) IDO1TRPM2ERBB2PTGESXDH
SCHEMBL1676373 0.82 NR3C1 (0.37) TRPV1IDO1TRPM2MAOBERBB2

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 RORC 814/4885RORB 1059/4885TRPV1 3572/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE RORC 814/4885RORB 1059/4885TRPV1 3572/4885

“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.