SCHEMBL5507246

SCHEMBL5507246

CS(=O)(=O)c1ccc(-c2cnc(N(Cc3ccc(C=CC(=O)O)c(Br)c3)c3ccc(Cl)c(Cl)c3)o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
PTGER1 P34995 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGS1 P23219 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
FAAH O00519 1/20 0.31
CCR5 P51681 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL5507244 1.00 PTGS2 (0.34) PTGS2PTGER1PTGER3PTGER2TBXA2R
SCHEMBL5509364 0.84 PTPN1 (0.43)
SCHEMBL4957460 0.81 GCGR (0.42)
SCHEMBL4957463 0.81 GCGR (0.42)
SCHEMBL5503559 0.80 PTPN1 (0.41) PTGS2PTGS1
SCHEMBL5524348 0.80 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL5504720 0.79 PTPN1 (0.38) PTGS2PTGS1PTPN22
SCHEMBL5503895 0.78 PTPN1 (0.37)
SCHEMBL5500769 0.77 PTPN1 (0.37) PTGS2
SCHEMBL5503199 0.76 PTPN1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP claimed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US claimed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO claimed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 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-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases PTPRO, PTPRG, PTPN1 PTGS2 1088/4885PTGER1 1974/4885PTGER3 3425/4885

“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.