SCHEMBL1851297

SCHEMBL1851297

CCCCCCCCc1noc(-c2ccc(CN(Cc3ccccc3C(F)(F)F)C(=O)C(=O)OCC)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.42
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SPHK2 Q9NRA0 2/20 0.37
EPHX2 P34913 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36

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
SCHEMBL1854356 1.00 SPHK1 (0.42) SPHK1HSD11B1KDM4ENPC1ALDH1A1
SCHEMBL1849899 0.92 SPHK1 (0.40) SPHK1ALDH1A1SPHK2S1PR1S1PR5
SCHEMBL1853501 0.90 SPHK1 (0.42) SPHK1HSD11B1KDM4ENPC1ALDH1A1
SCHEMBL1851369 0.90 SPHK1 (0.42) SPHK1HSD11B1KDM4ENPC1ALDH1A1
SCHEMBL1854957 0.88 SPHK1 (0.45) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL1853726 0.88 SPHK1 (0.45) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL1850914 0.87 SPHK1 (0.43) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL1860812 0.87 SPHK1 (0.43) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL1856954 0.86 HDAC1 (0.42) SPHK1MAPTPPARGPPARDPPARA
SCHEMBL1852214 0.86 HDAC1 (0.42) SPHK1MAPTPPARGPPARDPPARA

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 2279/4885HSD11B1 1496/4885KDM4E 249/4885

“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.