SCHEMBL1850472

SCHEMBL1850472

CCCCCCCCc1noc(-c2ccc(CN(Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)C(=O)C(=O)OCC)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.43
SPHK2 Q9NRA0 2/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
MMP2 P08253 4/20 0.36
MMP9 P14780 4/20 0.36
MMP12 P39900 4/20 0.36
MMP13 P45452 3/20 0.36
AKT1 P31749 2/20 0.36
IRS1 P35568 2/20 0.36
GAB1 Q13480 2/20 0.36
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
STAT3 P40763 3/20 0.35
MMP8 P22894 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL1854321 1.00 SPHK1 (0.43) SPHK1SPHK2S1PR1S1PR5MMP2
SCHEMBL1854141 0.92 SPHK1 (0.40) SPHK1SPHK2AKT1IRS1GAB1
SCHEMBL1855174 0.90 SPHK1 (0.43) SPHK1SPHK2S1PR1S1PR5MMP2
SCHEMBL1854904 0.90 SPHK1 (0.43) SPHK1SPHK2S1PR1S1PR5MMP2
SCHEMBL1854957 0.88 SPHK1 (0.45) SPHK1SPHK2S1PR1S1PR5CHRM2
SCHEMBL1853726 0.88 SPHK1 (0.45) SPHK1SPHK2S1PR1S1PR5CHRM2
SCHEMBL1854356 0.84 SPHK1 (0.42) SPHK1SPHK2S1PR1S1PR5CHRM2
SCHEMBL1851297 0.84 SPHK1 (0.42) SPHK1SPHK2S1PR1S1PR5CHRM2
SCHEMBL1852214 0.84 HDAC1 (0.42) SPHK1
SCHEMBL1856954 0.84 HDAC1 (0.42) SPHK1

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 2550/4885S1PR1 3093/4885

“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.