SCHEMBL7085233

SCHEMBL7085233

COc1ccc(C(=O)C(=O)c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2-c2ccccc2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.59
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL7084272 0.91 CES2 (0.50) PTGS2LMNACES2CES1
SCHEMBL7493557 0.89 PTGS2 (0.49) PTGS2CES2CES1
SCHEMBL7088117 0.87 ALDH1A1 (0.52) PTGS2ALDH1A1KMT2ALMNAPTGS1
SCHEMBL7087485 0.81 PTGS2 (0.47) PTGS2
SCHEMBL7083942 0.80 PTGS2 (0.46) PTGS2
SCHEMBL7089297 0.79 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7091362 0.79 PTGS2 (0.45) PTGS2
SCHEMBL8645697 0.78 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7087955 0.77 PTGS2 (0.48) PTGS2KMT2APTGS1MEN1RAB9A
SCHEMBL7091014 0.77 PTGS2 (0.47) 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 4 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
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 122/4885ALDH1A1 112/4885KMT2A 2522/4885

“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.