SCHEMBL1853296

SCHEMBL1853296

CCCCCCCCCCCc1noc(-c2cccc(CN(Cc3cccc(C(F)(F)F)c3)C(=O)C(=O)OCC)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SPHK1 Q9NYA1 3/20 0.42
SPHK2 Q9NRA0 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2B P29275 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
S1PR1 P21453 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL1856954 0.94 HDAC1 (0.42) PPARGPPARDPPARASPHK1KMT2A
SCHEMBL1855446 0.94 SPHK1 (0.42) PPARGPPARDPPARASPHK1SPHK2
SCHEMBL1852214 0.94 HDAC1 (0.42) PPARGPPARDPPARASPHK1KMT2A
SCHEMBL1852747 0.90 PPARG (0.45) PPARGPPARDPPARASPHK1SPHK2
SCHEMBL1855365 0.89 SPHK1 (0.45) PPARGPPARASPHK1SPHK2MAPT
SCHEMBL1849899 0.89 SPHK1 (0.40) PPARGPPARDPPARASPHK1SPHK2
SCHEMBL1854141 0.87 SPHK1 (0.40) PPARGPPARDPPARASPHK1SPHK2
SCHEMBL1854957 0.86 SPHK1 (0.45) PPARGPPARDPPARASPHK1SPHK2
SCHEMBL1853726 0.86 SPHK1 (0.45) PPARGPPARDPPARASPHK1SPHK2
SCHEMBL4322151 0.85 KDM4E (0.45) SPHK1SPHK2MAPTHDAC1S1PR1

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 3 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

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 PPARG 461/4885PPARD 695/4885PPARA 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.