SCHEMBL6419153

SCHEMBL6419153

CCCCCCCCCCCc1noc(-c2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)O)c3ccccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
OPRL1 P41146 1/20 0.37
PLK1 P53350 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CETP P11597 1/20 0.37
STAT3 P40763 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
FAAH O00519 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL1854964 0.94 CHRM2 (0.39) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1855007 0.90 CETP (0.39) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1854639 0.90 SPHK1 (0.37) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL27679423 0.89 PPARG (0.38) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL27619402 0.87 SPHK1 (0.37) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL27619637 0.86 SPHK1 (0.36) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL27619636 0.85 SPHK1 (0.36) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6424097 0.85 SPHK1 (0.47) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6023583 0.83 CHRM2 (0.37) SPHK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4325280 0.82 SPHK1 (0.46) SPHK1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2279/4885CHRM2 3483/4885CHRM4 3087/4885

“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.