SCHEMBL1855007

SCHEMBL1855007

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
TBXA2R P21731 1/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
OPRL1 P41146 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34

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
SCHEMBL6419153 0.90 SPHK1 (0.39) CETPHDAC1HDAC2TBXA2RPTGDR
SCHEMBL1854964 0.88 CHRM2 (0.39) CETPTBXA2RPTGDRPTGDR2OPRL1
SCHEMBL1854639 0.87 SPHK1 (0.37) CETPTBXA2RPTGDRPTGDR2OPRL1
SCHEMBL1854238 0.86 SPHK1 (0.44) HDAC3HDAC1HDAC2NCOR2SPHK1
SCHEMBL27619402 0.84 SPHK1 (0.37) OPRL1SPHK1CHRM2CHRM4CHRM5
SCHEMBL27619637 0.84 SPHK1 (0.36) HDAC1HDAC2PTGDR2OPRL1SPHK1
SCHEMBL1852778 0.83 SPHK1 (0.42) HDAC3HDAC1HDAC2NCOR2OPRL1
SCHEMBL27679423 0.83 PPARG (0.38) OPRL1SPHK1CHRM2CHRM4CHRM5
SCHEMBL27619636 0.82 SPHK1 (0.36) HDAC1OPRL1SPHK1CHRM2CHRM4
SCHEMBL1852779 0.82 HDAC3 (0.41) HDAC3HDAC1HDAC2NCOR2TBXA2R

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 5 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
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 CETP 184/4885HDAC3 1478/4885HDAC1 2136/4885

“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.