SCHEMBL5594344

SCHEMBL5594344

Nc1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
PTGS1 P23219 1/20 0.46
CA1 P00915 13/20 0.46
CA2 P00918 13/20 0.46
CA7 P43166 10/20 0.46
CA4 P22748 9/20 0.46
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AGO2 Q9UKV8 1/20 0.40
CA5B Q9Y2D0 1/20 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
SCHEMBL5594147 1.00 PTGS2 (0.46) PTGS2PTGS1CA1CA2CA7
SCHEMBL5595296 0.92 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA7
SCHEMBL5594206 0.92 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA7
SCHEMBL5594602 0.91 KIF11 (0.50) PTGS2PTGS1CA1CA2CA7
SCHEMBL5594335 0.91 KIF11 (0.50) PTGS2PTGS1CA1CA2CA7
SCHEMBL5594603 0.91 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA7
SCHEMBL5594449 0.91 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA7
SCHEMBL5594105 0.91 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA7
SCHEMBL5594230 0.91 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA7
SCHEMBL5594517 0.91 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764648-A1 Cephem derivatives and process for the preparation thereof Eisai Co., Ltd. (JP) 1997-03-26 EP claimed
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 107/4885PTGS1 144/4885CA1 4149/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR PTGS2 98/4885PTGS1 117/4885CA1 4120/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 PTGS2 150/4885PTGS1 201/4885CA1 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.