SCHEMBL5594699

SCHEMBL5594699

COc1ccc(C(=N)Nc2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.51
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
CSF1R P07333 1/20 0.43
KMT2A Q03164 1/20 0.43
MEP1B Q16820 1/20 0.42
NAMPT P43490 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
SCHEMBL8886418 0.85 PTGS2 (0.53) PTGS2LMNAHTTKMT2A
SCHEMBL5594333 0.78 FAAH (0.58) PTGS2KMT2A
SCHEMBL17396232 0.77 RAB9A (0.46) LMNAMAPK1HTTRAB9AKCNQ3
SCHEMBL22516044 0.75 CA1 (0.61) PTGS2KCNQ3KCNQ2KMT2ANAMPT
SCHEMBL806536 0.74 PTGS2 (0.67) PTGS2MAPK1KMT2AMEP1B
SCHEMBL7214407 0.74 PTGS2 (0.50) PTGS2LMNAMAPK1HTTRAB9A
SCHEMBL5595197 0.74 PTGS2 (0.54) PTGS2LMNARAB9AKMT2A
SCHEMBL4854992 0.74 PTGS2 (0.54) PTGS2LMNARAB9AKMT2A
SCHEMBL5594217 0.73 KCNH2 (0.47) LMNAHTTRAB9AKMT2ANAMPT
SCHEMBL6948148 0.73 PTGS2 (0.52) PTGS2LMNAMAPK1HTTRAB9A

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 13 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
EP-0880504-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-04-02 EP 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-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 107/4885LMNA 3200/4885MAPK1 2819/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR PTGS2 98/4885LMNA 3098/4885MAPK1 2026/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 PTGS2 150/4885LMNA 3288/4885MAPK1 2556/4885

“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.