SCHEMBL6744830

SCHEMBL6744830

CN(O)C(=O)C=Cn1cc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL7454284 0.92 F10 (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL6744826 0.86 CA1 (0.46) PTGS1PTGS2
SCHEMBL6747452 0.81 CA9 (0.43) PTGS1PTGS2
SCHEMBL7456268 0.77 F10 (0.38) F10F2PRSS1PRSS2PRSS3
SCHEMBL8633277 0.76 PTGS2 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL8632274 0.74 F10 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL8628225 0.73 F10 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL8632661 0.73 PTGS2 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL8627604 0.72 PTGS2 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL8631834 0.72 PTGS2 (0.46) F10F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696477-B2 AS ANTIINFLAMMATORY AGENTS PHARMACIA CORPORATION 2004-02-24 US claimed
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2002-05-16 US claimed

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-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 F10 2317/4885F2 898/4885PRSS1 700/4885

“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.