SCHEMBL5594476

SCHEMBL5594476

CC(c1ccccc1)C1(O)CN(c2ccc(Cl)cc2)C(c2ccc(S(C)(=O)=O)cc2)=N1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.51
PTGS1 P23219 5/20 0.40
CYP3A4 P08684 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39

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
SCHEMBL5594248 1.00 PTGS2 (0.51) PTGS2PTGS1CYP3A4CA1CA2
SCHEMBL5594845 0.91 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA4
SCHEMBL5594787 0.91 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA4
SCHEMBL8591714 0.90 PTGS2 (0.40) PTGS2CYP3A4CA1CA2CA4
SCHEMBL5594146 0.90 PTGS2 (0.51) PTGS2PTGS1CYP3A4CA1CA2
SCHEMBL5593830 0.84 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA4
SCHEMBL5593951 0.84 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA4
SCHEMBL5594117 0.81 PTGS2 (0.55) PTGS2PTGS1CA1CA2CA4
SCHEMBL5594943 0.81 PTGS2 (0.55) PTGS2PTGS1CA1CA2CA4
SCHEMBL5594573 0.81 PTGS2 (0.62) PTGS2PTGS1CA1CA2CA4

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 8 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-6613789-B2 Especially for treating arthritis, pain and fever G. D. SEARLE & CO. 2003-09-02 US disclosed
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2003-02-20 US disclosed
EP-1193265-A2 A process for the preparation of 4-[2-(aryl or heterocyclo)-1H-imidazol-1-yl]benzenesulfonamides G.D. Searle & Co. (US) 2002-04-03 EP disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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 (3 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 107/4885PTGS1 144/4885CYP3A4 196/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR PTGS2 98/4885PTGS1 117/4885CYP3A4 374/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 PTGS2 150/4885PTGS1 201/4885CYP3A4 210/4885

“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.