SCHEMBL1854047

SCHEMBL1854047

CCCCCCCCCCCc1noc(-c2ccc(CN(C(=O)C(=O)OCC)C(C)(C)c3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.43
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
SPHK2 Q9NRA0 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35

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
SCHEMBL1853726 0.90 SPHK1 (0.45) SPHK1PPARGPPARAPPARDSPHK2
SCHEMBL1853756 0.90 SPHK1 (0.43) SPHK1PPARGPPARAPPARDSPHK2
SCHEMBL1854957 0.90 SPHK1 (0.45) SPHK1PPARGPPARAPPARDSPHK2
SCHEMBL1852830 0.89 SPHK1 (0.44) SPHK1PPARGPPARAPPARDSPHK2
SCHEMBL1855614 0.85 PPARG (0.42) SPHK1PPARGPPARAPPARDSPHK2
SCHEMBL1852935 0.85 PPARG (0.42) SPHK1PPARGPPARAPPARDSPHK2
SCHEMBL1850403 0.85 PPARG (0.42) SPHK1PPARGPPARAPPARDSPHK2
SCHEMBL1855446 0.82 SPHK1 (0.42) SPHK1PPARGPPARAPPARDSPHK2
SCHEMBL1856954 0.82 HDAC1 (0.42) SPHK1PPARGPPARAPPARDMEN1
SCHEMBL1852214 0.82 HDAC1 (0.42) SPHK1PPARGPPARAPPARDMEN1

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 461/4885PPARA 579/4885

“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.