SCHEMBL1855494

SCHEMBL1855494

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccccc2C(F)(F)F)C(=O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.52
PPARG P37231 9/20 0.52
NAAA Q02083 1/20 0.51
TMEM97 Q5BJF2 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
MLYCD O95822 1/20 0.49
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
PLK1 P53350 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL1850949 0.88 NAAA (0.48) EPHX2PPARGNAAATMEM97SIGMAR1
SCHEMBL1854798 0.87 NAAA (0.54) NAAATMEM97SIGMAR1MLYCDPLK1
SCHEMBL1853427 0.87 TMEM97 (0.56) EPHX2NAAATMEM97SIGMAR1MLYCD
SCHEMBL1852987 0.87 TMEM97 (0.56) EPHX2NAAATMEM97SIGMAR1MLYCD
SCHEMBL1851125 0.87 NAAA (0.64) NAAATMEM97SIGMAR1MLYCDHDAC6
SCHEMBL1853512 0.87 NAAA (0.64) NAAATMEM97SIGMAR1MLYCDHDAC6
SCHEMBL1859658 0.87 NAAA (0.64) NAAATMEM97SIGMAR1MLYCDHDAC6
SCHEMBL1854718 0.85 MLYCD (0.49) NAAATMEM97SIGMAR1MLYCDPLK1
SCHEMBL1853434 0.84 TMEM97 (0.53) NAAATMEM97SIGMAR1MLYCDPLK1
SCHEMBL5044057 0.84 EPHX2 (0.55) EPHX2PPARGNAAAMLYCDTAOK1

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-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
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
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO 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 495/4885PPARG 1147/4885NAAA 684/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 EPHX2 2771/4885PPARG 461/4885NAAA 1643/4885

“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.