SCHEMBL5594722

SCHEMBL5594722

COC(=O)c1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.80
GABRA2 P47869 4/20 0.64
GABRB2 P47870 4/20 0.64
PTGS1 P23219 2/20 0.61

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
SCHEMBL6392181 1.00 PTGS2 (0.80) PTGS2GABRA2GABRB2PTGS1
SCHEMBL6389713 0.90 PTGS2 (0.66) PTGS2GABRA2GABRB2PTGS1
SCHEMBL6391363 0.90 PTGS2 (0.66) PTGS2GABRA2GABRB2PTGS1
SCHEMBL5594811 0.89 PTGS2 (1.00) PTGS2GABRA2GABRB2PTGS1
SCHEMBL5594360 0.87 PTGS2 (0.74) PTGS2GABRA2GABRB2PTGS1
SCHEMBL5593914 0.87 PTGS2 (0.74) PTGS2GABRA2GABRB2PTGS1
SCHEMBL6390052 0.87 PTGS2 (0.74) PTGS2GABRA2GABRB2PTGS1
SCHEMBL5594222 0.86 PTGS2 (0.70) PTGS2GABRA2GABRB2PTGS1
SCHEMBL6391197 0.86 PTGS2 (0.70) PTGS2GABRA2GABRB2PTGS1
SCHEMBL6393310 0.86 PTGS2 (0.72) PTGS2GABRA2GABRB2PTGS1

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
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 US disclosed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 US disclosed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 US disclosed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 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 (2 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-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation LTC4S, HRH4, LTB4R2 PTGS2 107/4885GABRA2 1727/4885GABRB2 1850/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 PTGS2 150/4885GABRA2 1821/4885GABRB2 1932/4885

“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.