SCHEMBL7083940

SCHEMBL7083940

Cc1cc(Cl)cc(-c2ccccc2C(=O)C(=O)c2ccccc2)c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.45
PTGS1 P23219 2/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL7089294 0.90 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7085442 0.85 SLC6A4 (0.39)
SCHEMBL7087484 0.81 PTGS2 (0.41) PTGS2
SCHEMBL7091359 0.80 PTGS2 (0.45) PTGS2
SCHEMBL7488198 0.78 PTGS2 (0.40) PTGS2AKR1C2AKR1C1
SCHEMBL7085231 0.78 PTGS2 (0.48) PTGS2
SCHEMBL7493552 0.76 PTGS2 (0.44) PTGS2
SCHEMBL7083942 0.76 PTGS2 (0.46) PTGS2AKR1C3AKR1C2AKR1C1
SCHEMBL8801437 0.74 CES2 (0.50)
SCHEMBL7084270 0.74 PTGS2 (0.44) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
WO-1996003387-A1 4,5-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 (1 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 PTGS2 122/4885PTGS1 114/4885AKR1C3 368/4885

“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.