SCHEMBL1854032

SCHEMBL1854032

CCCCc1oc2ccccc2c1CNC(=O)c1ccc(CN(C(=O)C(=O)O)C(CC)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 4/20 0.40
EPHX2 P34913 3/20 0.40
MTTP P55157 4/20 0.39
MAPK14 Q16539 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
PTPN1 P18031 4/20 0.38
PPARD Q03181 3/20 0.37
NR1H4 Q96RI1 1/20 0.36
EYA3 Q99504 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1851704 0.88 LSS (0.46) LSSPPARGPPARAEPHX2MTTP
SCHEMBL1853850 0.82 NAAA (0.43) TMEM97SIGMAR1PTPN1EYA3
SCHEMBL5044450 0.82 MAPK14 (0.47) LSSPPARGPPARAEPHX2MAPK14
SCHEMBL5044446 0.81 PPARG (0.45) LSSPPARGPPARAEPHX2MTTP
SCHEMBL1855758 0.81 LSS (0.44) LSSPPARGEPHX2MAPK14TMEM97
SCHEMBL1853974 0.78 TMEM97 (0.49) LSSPPARGPPARAEPHX2TMEM97
SCHEMBL1856911 0.76 TMEM97 (0.47) LSSPPARGPPARAEPHX2MTTP
SCHEMBL1852712 0.74 PLK1 (0.44) PPARAPPARD
SCHEMBL4313217 0.74 MTTP (0.38) MTTP
SCHEMBL1857664 0.74 PLK1 (0.50) NR1H4

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 LSS 1405/4885PPARG 461/4885PPARA 579/4885

“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.