SCHEMBL1853609

SCHEMBL1853609

CCCCCCCCCCCc1noc(-c2cccc(CN(Cc3csc4ccccc34)C(=O)C(=O)OCC)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.39
SPHK2 Q9NRA0 2/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
DGAT1 O75907 2/20 0.35
HDAC1 Q13547 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.33
S1PR1 P21453 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1855160 0.92 SPHK1 (0.42) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL1862572 0.92 SPHK1 (0.42) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL1853565 0.91 SPHK1 (0.41) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL1855365 0.87 SPHK1 (0.45) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL1851801 0.85 SPHK1 (0.41) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL1849899 0.84 SPHK1 (0.40) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL4322151 0.83 KDM4E (0.45) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL1857310 0.83 KDM4E (0.45) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL1855864 0.82 SPHK1 (0.43) SPHK1SPHK2CHRM2CHRM4CHRM5
SCHEMBL1851181 0.82 SPHK1 (0.43) SPHK1SPHK2CHRM2CHRM4CHRM5

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 SPHK1 2279/4885SPHK2 2550/4885CHRM2 3483/4885

“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.