SCHEMBL7087936

SCHEMBL7087936

CS(=O)(=O)c1ccc(CCl)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIN2B Q13224 1/20 0.41
CCR2 P41597 1/20 0.40
LMNA P02545 1/20 0.40
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
SCHEMBL398570 0.85 ENPP2 (0.50) PTGS2PTGDR2CYP3A4
SCHEMBL7089391 0.83 PTGS2 (0.44) PTGS2PTGDR2CYP3A4TDP1GRIN2B
SCHEMBL22871613 0.81 CYP3A4 (0.57) CYP3A4TDP1LMNA
SCHEMBL7688313 0.81 MMP2 (0.38) CYP3A4TDP1
Hydrochloric Acid SCHEMBL5143704 0.79 CYP3A4 (0.55) CYP3A4TDP1
(Chloromethyl)Benzene SCHEMBL304085 0.79 CYP3A4 (0.60) CYP3A4TDP1LMNA
SCHEMBL15201702 0.78 TP53 (0.50) CYP3A4TDP1LMNA
SCHEMBL6201046 0.76 TDP1 (0.50) CYP3A4TDP1LMNA
SCHEMBL9505755 0.75 HTT (0.44) PTGS2LMNA
SCHEMBL5783635 0.75 CYP3A4 (0.40) PTGS2CYP3A4TDP1LMNA

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 3 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-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP 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 122/4885PTGDR2 502/4885CYP3A4 446/4885

“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.