SCHEMBL1856733

SCHEMBL1856733

CCCCCCCCCCCCOc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C(=O)OCC)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC2A1 P11166 2/20 0.39
CYP2C9 P11712 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
ALOX5 P09917 2/20 0.36
PSEN1 P49768 2/20 0.36
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGES O14684 1/20 0.36
CETP P11597 1/20 0.36
LTB4R Q15722 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
SCHEMBL4319082 0.90 PPARG (0.43) THRATHRBPPARGPPARDPPARA
SCHEMBL1856355 0.87 THRA (0.42) THRATHRBCNR1CNR2MEN1
SCHEMBL1855617 0.83 CYP3A4 (0.34) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL1851833 0.83 CYP3A4 (0.34) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL1854185 0.83 TRPM8 (0.43)
SCHEMBL1850481 0.82 MEN1 (0.39) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL1852710 0.80 FAAH (0.47) THRATHRB
SCHEMBL1856178 0.80 MEN1 (0.41) THRATHRBPPARGPPARDPPARA
SCHEMBL1854357 0.80 FAAH (0.46) THRATHRB
SCHEMBL1854493 0.79 SLC2A1 (0.44) THRATHRBCNR1CNR2MEN1

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 THRA 1194/4885THRB 1186/4885PPARG 461/4885

“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.