SCHEMBL7087953

SCHEMBL7087953

CN(C)c1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.46
RAB9A P51151 1/20 0.45
KDM1A O60341 3/20 0.41
USP28 Q96RU2 1/20 0.39
TP53 P04637 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL7133863 0.83 RAB9A (0.46) RAB9AKDM1A
SCHEMBL7087955 0.80 PTGS2 (0.48) PTGS2RAB9AKDM1AUSP28PTGS1
SCHEMBL7089294 0.74 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7091359 0.73 PTGS2 (0.45) PTGS2
SCHEMBL7083940 0.73 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL8488036 0.73 PTGS2 (0.70) PTGS2KDM1APTGS1
SCHEMBL7084270 0.72 PTGS2 (0.44) PTGS2RAB9A
SCHEMBL7493552 0.72 PTGS2 (0.44) PTGS2
SCHEMBL7085149 0.71 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7085231 0.71 PTGS2 (0.48) 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 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 122/4885RAB9A 3539/4885KDM1A 2638/4885

“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.