SCHEMBL1858451

SCHEMBL1858451

CCCCCCCCCCCc1noc(-c2cccc(CNCc3ccccc3C(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.41
SPHK2 Q9NRA0 6/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
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
SCHEMBL1856354 0.90 SPHK1 (0.47) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1857367 0.90 SPHK1 (0.47) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1854299 0.87 SPHK1 (0.43) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL5048811 0.86 SPHK1 (0.42) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL6719243 0.86 SPHK1 (0.43) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1856445 0.85 ALDH1A1 (0.53) SPHK1SPHK2ALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL1856212 0.85 SPHK1 (0.44) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL5046496 0.84 SPHK1 (0.41) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1853006 0.84 ALDH1A1 (0.46) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1855102 0.82 SPHK1 (0.42) SPHK1SPHK2ALDH1A1KDM4ENPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
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 2279/4885SPHK2 2550/4885ALDH1A1 3733/4885

“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.