SCHEMBL5594732

SCHEMBL5594732

NS(=O)(=O)c1ccc(C2=NC(O)(c3ccc(OC(F)(F)F)cc3)CN2c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.47
CA2 P00918 6/20 0.47
CA1 P00915 5/20 0.47
CA4 P22748 5/20 0.47
CA7 P43166 5/20 0.47
PTGS1 P23219 6/20 0.44
CCR1 P32246 1/20 0.41
CHRNA7 P36544 2/20 0.41
PDPK1 O15530 1/20 0.40
LIPE Q05469 2/20 0.40

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
SCHEMBL5594219 1.00 PTGS2 (0.47) PTGS2CA2CA1CA4CA7
SCHEMBL5594619 0.91 PTGS2 (0.48) PTGS2PTGS1CCR1LIPE
SCHEMBL5594959 0.91 PTGS2 (0.48) PTGS2PTGS1CCR1LIPE
SCHEMBL5594647 0.89 PTGS2 (0.58) PTGS2CA2CA1CA4CA7
SCHEMBL5594656 0.89 PTGS2 (0.58) PTGS2CA2CA1CA4CA7
SCHEMBL5594451 0.88 CA1 (0.55) PTGS2CA2CA1CA4CA7
SCHEMBL5594467 0.88 CA1 (0.55) PTGS2CA2CA1CA4CA7
SCHEMBL5594867 0.86 PTGS2 (0.53) PTGS2CA2CA1CA4CA7
SCHEMBL5593946 0.86 PTGS2 (0.53) PTGS2CA2CA1CA4CA7
SCHEMBL5594353 0.84 CA2 (0.53) PTGS2CA2CA1CA4CA7

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 11 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-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP 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
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 107/4885CA2 1792/4885CA1 4149/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR PTGS2 98/4885CA2 1552/4885CA1 4120/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 PTGS2 150/4885CA2 1780/4885CA1 4234/4885

“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.