SCHEMBL4325280

SCHEMBL4325280

CCCCCCCCCCCc1noc(-c2cccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.46
SPHK2 Q9NRA0 2/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44
S1PR1 P21453 2/20 0.43
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
PLK1 P53350 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRL1 P41146 1/20 0.39

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
SCHEMBL1853829 0.94 SPHK1 (0.44) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL6424097 0.91 SPHK1 (0.47) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL4669838 0.91 PPARG (0.43) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL1852778 0.90 SPHK1 (0.42) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL1855446 0.89 SPHK1 (0.42) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL1852747 0.88 PPARG (0.45) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL1852027 0.85 PPARG (0.43) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL1852532 0.85 PPARG (0.43) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL1854788 0.84 SPHK1 (0.45) SPHK1SPHK2PPARGPPARAPPARD
SCHEMBL1854066 0.84 SPHK1 (0.45) SPHK1SPHK2PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 SPHK1 2279/4885SPHK2 2550/4885PPARG 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.