SCHEMBL1855288

SCHEMBL1855288

CCCCCCCCCCCc1noc(-c2ccc(CN(C(=O)C(=O)O)[C@H](C)c3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.44
PPARA Q07869 10/20 0.44
PPARD Q03181 5/20 0.44
SPHK1 Q9NYA1 2/20 0.41
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SPHK2 Q9NRA0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1854895 1.00 PPARG (0.44) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL1855540 1.00 PPARG (0.44) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL6717440 0.94 PPARG (0.46) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL6717446 0.94 PPARG (0.46) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL1853730 0.91 PPARG (0.41) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL1855614 0.90 PPARG (0.42) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL1852935 0.90 PPARG (0.42) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL1850403 0.90 PPARG (0.42) PPARGPPARAPPARDSPHK1CHRM2
Meglumine SCHEMBL4316199 0.89 PPARG (0.37) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL6024036 0.89 SPHK1 (0.40) PPARGPPARAPPARDSPHK1CHRM2

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-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

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 1147/4885PPARA 1158/4885PPARD 751/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PPARG 461/4885PPARA 579/4885PPARD 695/4885

“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.