SCHEMBL5594718

SCHEMBL5594718

CS(=O)(=O)c1ccc(C2=NC(O)(c3cccc(F)c3)CN2c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.49
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PTGS1 P23219 8/20 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
SCHEMBL5594800 1.00 PTGS2 (0.49) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL5594359 0.91 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5594450 0.91 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5594432 0.90 PTGS2 (0.49) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL5594312 0.90 PTGS2 (0.49) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL5594525 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5594472 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5594943 0.88 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5594117 0.88 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5593930 0.87 PTGS2 (0.58) 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 9 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
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 (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 107/4885PSEN1 4795/4885PSEN2 4727/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR PTGS2 98/4885PSEN1 4826/4885PSEN2 4764/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 PTGS2 150/4885PSEN1 4839/4885PSEN2 4777/4885

“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.