SCHEMBL1676152

SCHEMBL1676152

O=C(O)CN(c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)S(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CNR1 P21554 2/20 0.33
ERBB2 P04626 2/20 0.33
CNR2 P34972 1/20 0.33
MARS1 P56192 1/20 0.33
DAGLA Q9Y4D2 1/20 0.32
S1PR1 P21453 1/20 0.32
MDM2 Q00987 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GCGR P47871 2/20 0.31
GIPR P48546 2/20 0.31
PPARD Q03181 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
DPP4 P27487 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1676155 1.00 EGFR (0.34) EGFRPTGDR2CNR1ERBB2CNR2
SCHEMBL1676130 0.93 PTGDR2 (0.35) EGFRPTGDR2CNR1ERBB2CNR2
SCHEMBL1676134 0.93 PTGDR2 (0.35) EGFRPTGDR2CNR1ERBB2CNR2
SCHEMBL1676776 0.92 KDM4E (0.37) EGFRPTGDR2CNR1ERBB2CNR2
SCHEMBL1676775 0.92 KDM4E (0.37) EGFRPTGDR2CNR1ERBB2CNR2
SCHEMBL1676353 0.88 PPARD (0.39) EGFRPTGDR2CNR1ERBB2CNR2
SCHEMBL1676351 0.88 PPARD (0.39) EGFRPTGDR2CNR1ERBB2CNR2
SCHEMBL1481289 0.84 RAB9A (0.44) EGFRMARS1EGLN1
SCHEMBL1481287 0.84 RAB9A (0.44) EGFRMARS1EGLN1
SCHEMBL1676243 0.82 GCGR (0.39) EGFRPTGDR2CNR1ERBB2CNR2

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 EGFR 2135/4885PTGDR2 2266/4885CNR1 3344/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE EGFR 2135/4885PTGDR2 2266/4885CNR1 3344/4885

“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.