SCHEMBL1860786

SCHEMBL1860786

CCCCCc1ccc(CNC(=O)c2ccc(CN(Cc3ccccc3OC(F)(F)F)C(=O)C(=O)O)c(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RORC P51449 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
HPGD P15428 3/20 0.41
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL1860265 0.92 PPARG (0.44) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL1853096 0.89 ALDH1A1 (0.46) PPARGALDH1A1EPHX2TRPV1HPGD
SCHEMBL5044635 0.88 PPARG (0.50) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL4330881 0.88 MAPK14 (0.47) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL1854814 0.85 TRPV1 (0.45) ALDH1A1LMNAL3MBTL1TRPV1HPGD
SCHEMBL1855988 0.84 TRPV1 (0.44) ALDH1A1LMNAEPHX2L3MBTL1TRPV1
SCHEMBL1856695 0.84 LSS (0.50) PPARGEPHX2TRPV1HDAC1
SCHEMBL1854547 0.84 MAPK14 (0.47) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL6419106 0.82 TRPV1 (0.40) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL1856557 0.82 EPHX2 (0.41) PPARGALDH1A1LMNAEPHX2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
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 claimed
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 claimed
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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 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 (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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 PPARG 1147/4885ALDH1A1 432/4885LMNA 2207/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PPARG 461/4885ALDH1A1 3733/4885LMNA 4700/4885

“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.