SCHEMBL1854428

SCHEMBL1854428

CCC(c1ccc(C(F)(F)F)cc1)N(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.42
CYP17A1 P05093 2/20 0.41
UTS2R Q9UKP6 1/20 0.40
PPARA Q07869 4/20 0.39
PPARG P37231 2/20 0.39
P2RY14 Q15391 1/20 0.38
PSMB5 P28074 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RORC P51449 1/20 0.37
MAPT P10636 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 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
SCHEMBL1851163 0.89 CYP17A1 (0.42) CYP17A1PPARAPPARGMMP1MMP2
SCHEMBL6718330 0.82 MTOR (0.49) MTORCYP17A1UTS2RPPARAPPARG
SCHEMBL1855561 0.81 MDM2 (0.40) MTORPPARAPPARG
SCHEMBL1854700 0.80 MDM2 (0.39) MTORPPARAPPARGALDH1A1MAPT
SCHEMBL1853736 0.79 PLK1 (0.50)
SCHEMBL1857664 0.79 PLK1 (0.50)
SCHEMBL4330616 0.79 NPC1 (0.51) PPARGALDH1A1MAPT
SCHEMBL1852712 0.77 PLK1 (0.44) MTORPPARAALDH1A1MAPT
SCHEMBL1854358 0.76 PLK1 (0.43) MTORPPARAALDH1A1MAPT
SCHEMBL1854186 0.76 PPARG (0.42) PPARAPPARGMMP9MMP8MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 MTOR 227/4885CYP17A1 488/4885UTS2R 3120/4885

“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.