SCHEMBL1857769

SCHEMBL1857769

CCCCCCCCCCCc1noc(-c2cccc(CNCCc3ccc(Cl)c(Cl)c3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.44
SPHK2 Q9NRA0 3/20 0.44
ROCK1 Q13464 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NR1I3 Q14994 5/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1855641 0.90 SPHK1 (0.50) SPHK1SPHK2ROCK1CYP1A2CYP2D6
SCHEMBL1854487 0.90 SPHK1 (0.50) SPHK1SPHK2ROCK1CYP1A2CYP2D6
SCHEMBL1853630 0.87 ALDH1A1 (0.51) SPHK1SPHK2CYP1A2CYP2D6CYP2C19
SCHEMBL1855983 0.85 SPHK1 (0.49) SPHK1SPHK2CYP1A2CYP2D6CYP2C19
SCHEMBL1852212 0.85 SPHK1 (0.49) SPHK1SPHK2CYP1A2CYP2D6CYP2C19
SCHEMBL6022040 0.83 SPHK1 (0.44) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1856445 0.82 ALDH1A1 (0.53) SPHK1SPHK2CYP1A2CYP2D6CYP2C19
SCHEMBL1855102 0.81 SPHK1 (0.42) SPHK1SPHK2CYP1A2CYP2D6CYP2C19
SCHEMBL1853900 0.79 SMN1; SMN2 (0.56) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1854677 0.79 SMN1; SMN2 (0.56) 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 2550/4885ROCK1 1378/4885

“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.