SCHEMBL1857367

SCHEMBL1857367

CCCCCCCCCCCc1noc(-c2ccc(CNCc3ccccc3C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSD11B1 P28845 1/20 0.39
S1PR1 P21453 4/20 0.39
S1PR2 O95136 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38

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
SCHEMBL1856354 1.00 SPHK1 (0.47) SPHK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL1858451 0.90 SPHK1 (0.41) SPHK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL1855183 0.86 SPHK1 (0.51) SPHK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL6725380 0.86 SPHK1 (0.51) SPHK1ALDH1A1KDM4ENPC1MAPT
Hydrochloric Acid SCHEMBL1855130 0.85 SPHK1 (0.50) SPHK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5040965 0.83 ALDH1A1 (0.44) SPHK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL1853005 0.83 SPHK1 (0.47) SPHK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL1853076 0.83 SPHK1 (0.47) SPHK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL1857829 0.82 SPHK1 (0.47) SPHK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL1857980 0.82 SPHK1 (0.47) SPHK1ALDH1A1KDM4ENPC1MAPT

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 2279/4885ALDH1A1 3733/4885KDM4E 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.