SCHEMBL1851264

SCHEMBL1851264

CCCCCc1ccc(CNC(=O)c2cccc(-c3ccc(CN(Cc4ccc(C(F)(F)F)cc4)C(=O)C(=O)O)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.48
EPHX2 P34913 3/20 0.47
NR1H4 Q96RI1 1/20 0.47
AKR1C3 P42330 1/20 0.47
KDM1A O60341 2/20 0.44
HDAC1 Q13547 2/20 0.44
PLK1 P53350 1/20 0.44
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
PPARG P37231 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL4321965 0.92 LSS (0.57) LSSEPHX2AKR1C3KDM1AHDAC1
SCHEMBL1855976 0.91 EPHX2 (0.55) EPHX2NR1H4HDAC1TRPV1PPARG
SCHEMBL1858311 0.90 MLYCD (0.50) LSSPLK1TRPV1MAPK14
SCHEMBL1861375 0.89 NAAA (0.48) EPHX2HDAC1
SCHEMBL1857017 0.89 NAAA (0.48) EPHX2HDAC1
SCHEMBL1854934 0.88 EPHX2 (0.49) EPHX2NR1H4AKR1C3TRPV1
SCHEMBL1855755 0.86 TMEM97 (0.51) EPHX2
SCHEMBL1855554 0.84 EPHX2 (0.45) EPHX2NR1H4AKR1C3TRPV1
SCHEMBL1856695 0.83 LSS (0.50) LSSEPHX2KDM1AHDAC1PLK1
SCHEMBL4317777 0.83 LSS (0.49) LSSEPHX2AKR1C3PLK1PPARA

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 11 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 claimed
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-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
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 (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 LSS 2931/4885EPHX2 495/4885NR1H4 510/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 LSS 1405/4885EPHX2 2771/4885NR1H4 1543/4885

“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.