SCHEMBL1859862

SCHEMBL1859862

CCCCCOc1ccc(CCc2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.50
ALOX5 P09917 2/20 0.50
PPARG P37231 1/20 0.50
PSEN1 P49768 2/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
S1PR5 Q9H228 1/20 0.47
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL4316069 0.99 PTGES (0.49) PTGESALOX5PPARGPSEN1S1PR4
SCHEMBL1856325 0.95 TP53 (0.48) PTGESALOX5PPARGS1PR1S1PR3
SCHEMBL1851802 0.91 PTGES (0.44) PTGESALOX5PPARGPSEN1S1PR1
SCHEMBL1853816 0.90 PTGES (0.43) PTGESALOX5PPARGS1PR1S1PR3
SCHEMBL4316065 0.89 PPARG (0.43) PTGESALOX5PPARGPPARA
SCHEMBL1855895 0.88 PLK1 (0.50) S1PR4S1PR1S1PR3MEN1KMT2A
SCHEMBL1853462 0.88 PLK1 (0.50) S1PR4S1PR1S1PR3MEN1KMT2A
SCHEMBL1858689 0.88 ALDH1A1 (0.45) PTGESALOX5PPARGPSEN1MEN1
SCHEMBL1856809 0.87 FAAH (0.51) S1PR4S1PR1S1PR3MEN1KMT2A
SCHEMBL4327886 0.84 MEN1 (0.43) S1PR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGES 460/4885ALOX5 283/4885PPARG 1147/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PTGES 1550/4885ALOX5 1837/4885PPARG 461/4885

“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.