SCHEMBL5594602

SCHEMBL5594602

NS(=O)(=O)c1ccc(C2=NC(O)(C(F)(F)F)CN2c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
PTGS2 P35354 11/20 0.47
CYP2C9 P11712 1/20 0.47
PDPK1 O15530 1/20 0.47
PTGS1 P23219 3/20 0.46
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA4 P22748 5/20 0.45
CA7 P43166 5/20 0.45
CHRNA7 P36544 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
MAPT P10636 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5594335 1.00 KIF11 (0.50) KIF11PTGS2CYP2C9PDPK1PTGS1
SCHEMBL5594147 0.91 PTGS2 (0.46) PTGS2PTGS1CA1CA2CA4
SCHEMBL5594344 0.91 PTGS2 (0.46) PTGS2PTGS1CA1CA2CA4
SCHEMBL5594206 0.90 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA4
SCHEMBL5595296 0.90 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA4
SCHEMBL5594105 0.89 PTGS2 (0.47) PTGS2CYP2C9PDPK1PTGS1CA1
SCHEMBL5594449 0.89 PTGS2 (0.56) PTGS2PDPK1PTGS1CA1CA2
SCHEMBL5594603 0.89 PTGS2 (0.47) PTGS2CYP2C9PDPK1PTGS1CA1
SCHEMBL5594230 0.89 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA4
SCHEMBL5594095 0.89 PTGS2 (0.50) PTGS2PTGS1

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 10 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-0772600-B1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP 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
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 KIF11 4514/4885PTGS2 107/4885CYP2C9 533/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR KIF11 4499/4885PTGS2 98/4885CYP2C9 522/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 KIF11 4440/4885PTGS2 150/4885CYP2C9 568/4885

“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.