SCHEMBL1856089

SCHEMBL1856089

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CN(Cc3ccc(OC(F)(F)F)cc3)C(=O)C(=O)O)c(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
NR1H4 Q96RI1 1/20 0.46
PPARA Q07869 3/20 0.45
PPARG P37231 3/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2C P28335 1/20 0.43
AKR1C3 P42330 1/20 0.42
GAA P10253 1/20 0.41
GCGR P47871 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARD Q03181 1/20 0.39
MAPK14 Q16539 1/20 0.39
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
SCHEMBL1861388 0.92 MAPK14 (0.47) EPHX2NR1H4PPARAPPARGALDH1A1
SCHEMBL1853096 0.90 ALDH1A1 (0.46) EPHX2NR1H4PPARAPPARGALDH1A1
SCHEMBL4317777 0.89 LSS (0.49) EPHX2PPARAPPARGAKR1C3PPARD
SCHEMBL1859045 0.88 STAT3 (0.46) EPHX2PPARAPPARGALDH1A1HPGD
SCHEMBL1860265 0.87 PPARG (0.44) EPHX2PPARGALDH1A1HPGDSMN1; SMN2
SCHEMBL5044898 0.87 EPHX2 (0.51) EPHX2NR1H4PPARAPPARGALDH1A1
SCHEMBL1856005 0.86 TRPV1 (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL1857257 0.83 HSD11B1 (0.40) EPHX2PPARGALDH1A1HPGD
SCHEMBL1855452 0.82 PTGES (0.42) ALDH1A1HPGDSMN1; SMN2MAPK14
SCHEMBL4330881 0.82 MAPK14 (0.47) EPHX2NR1H4PPARAPPARGALDH1A1

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 9 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
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 EPHX2 495/4885NR1H4 510/4885PPARA 1158/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 EPHX2 2771/4885NR1H4 1543/4885PPARA 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.