SCHEMBL1854299

SCHEMBL1854299

CCCCCCCCCCCc1noc(-c2cccc(CNCc3cccc(C(F)(F)F)c3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.43
SPHK2 Q9NRA0 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
SCN8A Q9UQD0 1/20 0.39

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
SCHEMBL1857980 0.93 SPHK1 (0.47) SPHK1SPHK2MAPTL3MBTL1MAPK1
SCHEMBL1857829 0.93 SPHK1 (0.47) SPHK1SPHK2MAPTL3MBTL1MAPK1
SCHEMBL6719243 0.93 SPHK1 (0.43) SPHK1SPHK2MAPTL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL1856212 0.92 SPHK1 (0.44) SPHK1SPHK2MAPTL3MBTL1MAPK1
SCHEMBL1858451 0.87 SPHK1 (0.41) SPHK1SPHK2MAPTNPC1RAB9A
SCHEMBL1856445 0.86 ALDH1A1 (0.53) SPHK1SPHK2MAPTNPC1RAB9A
SCHEMBL5039871 0.86 SPHK1 (0.42) SPHK1SPHK2MAPTL3MBTL1MAPK1
SCHEMBL6715222 0.85 SPHK2 (0.41) SPHK1SPHK2MAPTL3MBTL1MAPK1
SCHEMBL1852747 0.84 PPARG (0.45) SPHK1SPHK2MAPTL3MBTL1MAPK1
SCHEMBL1854919 0.83 SPHK1 (0.42) SPHK1SPHK2MAPTPPARGPPARD

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 2550/4885MAPT 4575/4885

“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.