SCHEMBL1855657

SCHEMBL1855657

CCCCCCCCCCCc1noc(-c2ccc(C(CC)N(CCc3ccc(-c4ccccc4)cc3)C(=O)C(=O)O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHRM2 P08172 5/20 0.43
CHRM4 P08173 5/20 0.43
CHRM5 P08912 5/20 0.43
CHRM1 P11229 5/20 0.43
CHRM3 P20309 5/20 0.43
SPHK1 Q9NYA1 4/20 0.42
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 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
SCHEMBL1856787 1.00 KDM4E (0.47) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL1852927 0.93 ALDH1A1 (0.42) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL4313098 0.88 SPHK1 (0.41) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL1857847 0.88 SPHK1 (0.41) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL1857498 0.88 SPHK1 (0.38) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL1861709 0.88 SPHK1 (0.38) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL4322155 0.87 ALDH1A1 (0.44) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL1860161 0.87 CHRM2 (0.40) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL1857311 0.87 ALDH1A1 (0.44) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL1852175 0.87 CHRM2 (0.40) KDM4ENPC1ALDH1A1MAPTPKM

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 KDM4E 249/4885NPC1 2939/4885ALDH1A1 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.