SCHEMBL1853151

SCHEMBL1853151

CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.54
RORC P51449 2/20 0.54
MTOR P42345 2/20 0.51
NAMPT P43490 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
EPHX2 P34913 1/20 0.47
MAPT P10636 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FFAR1 O14842 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL1138925 0.89 EPHX2 (0.59) CYP17A1NAMPTLMNAHTTEPHX2
SCHEMBL1854209 0.85 ATM (0.56) CYP17A1NAMPTSMN1; SMN2PPARGPPARA
SCHEMBL6718330 0.83 MTOR (0.49) CYP17A1MTORLMNAHTTEPHX2
SCHEMBL30929531 0.82 EPHX2 (0.51) CYP17A1NAMPTLMNAHTTEPHX2
SCHEMBL28095339 0.82 CYP17A1 (0.54) CYP17A1NAMPTMAPTMEN1KMT2A
SCHEMBL4574985 0.81 LSS (0.52) MTORNAMPTEPHX2L3MBTL1HDAC1
SCHEMBL17687214 0.81 PHGDH (0.46) MTORNAMPTMEN1KMT2AL3MBTL1
SCHEMBL25688378 0.81 CYP17A1 (0.53) CYP17A1NAMPTHDAC1HDAC6PPARG
SCHEMBL30741277 0.80 KCNQ2 (0.49) CYP17A1RORCMTORLMNAHTT
SCHEMBL23336325 0.80 CYP17A1 (0.62) CYP17A1NAMPTMAPTHDAC1HDAC6

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 5 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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO 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 CYP17A1 488/4885RORC 3420/4885MTOR 227/4885

“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.