SCHEMBL1676351

SCHEMBL1676351

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
ERBB2 P04626 3/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
EGFR P00533 1/20 0.36
MDM2 Q00987 1/20 0.35
MARS1 P56192 1/20 0.34
S1PR1 P21453 1/20 0.34
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.33
GCGR P47871 2/20 0.33
GIPR P48546 2/20 0.33
DPP4 P27487 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
SCHEMBL1676353 1.00 PPARD (0.39) PPARDPPARGPPARAPTGDR2ERBB2
SCHEMBL1677239 0.92 CNR1 (0.37) PPARDPPARGPPARAPTGDR2ERBB2
SCHEMBL1677240 0.92 CNR1 (0.37) PPARDPPARGPPARAPTGDR2ERBB2
SCHEMBL1676130 0.90 PTGDR2 (0.35) PPARDPPARGPPARAPTGDR2ERBB2
SCHEMBL1676134 0.90 PTGDR2 (0.35) PPARDPPARGPPARAPTGDR2ERBB2
SCHEMBL1676155 0.88 EGFR (0.34) PPARDPPARGPPARAPTGDR2ERBB2
SCHEMBL1676152 0.88 EGFR (0.34) PPARDPPARGPPARAPTGDR2ERBB2
SCHEMBL1481287 0.86 RAB9A (0.44) EGFRMARS1
SCHEMBL1481289 0.86 RAB9A (0.44) EGFRMARS1
SCHEMBL1676245 0.85 GCGR (0.39) PPARDPPARGPPARAPTGDR2ERBB2

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 PPARD 2749/4885PPARG 2054/4885PPARA 2606/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PPARD 2749/4885PPARG 2054/4885PPARA 2606/4885

“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.