SCHEMBL1854907

SCHEMBL1854907

CCCCCCCCCCCc1noc(-c2ccc(C(CC)N(C(=O)C(=O)O)C(c3ccc(C(F)(F)F)cc3)C3CCCC3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
SPHK2 Q9NRA0 4/20 0.37
CHRM2 P08172 4/20 0.37
CHRM4 P08173 4/20 0.37
CHRM5 P08912 4/20 0.37
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL6023854 0.87 SPHK1 (0.43) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL1856741 0.87 SPHK1 (0.43) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL1854050 0.83 PPARG (0.39) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL1853730 0.82 PPARG (0.41) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL1854905 0.80 SPHK1 (0.43) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL4965844 0.79 SPHK1 (0.42) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL5045135 0.78 SPHK1 (0.40) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL1852648 0.77 ENPP2 (0.46)
SCHEMBL1855540 0.76 PPARG (0.44) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL1854895 0.76 PPARG (0.44) SPHK1PPARGPPARDPPARASPHK2

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 5 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 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-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 (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 2279/4885PPARG 461/4885PPARD 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.