SCHEMBL17488479

SCHEMBL17488479

CCCCOC(=O)[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.84

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
SCHEMBL5112013 0.86 PTGS2 (0.84) PTGS2
SCHEMBL18517392 0.86 PTGS2 (0.72) PTGS2
SCHEMBL13286980 0.85 PTGS2 (0.93) PTGS2
SCHEMBL22504102 0.84 PTGS2 (0.98) PTGS2
SCHEMBL8360236 0.84 PTGS2 (0.76) PTGS2
SCHEMBL18517535 0.84 PTGS2 (0.59) PTGS2
SCHEMBL2011840 0.84 PTGS2 (0.71) PTGS2
SCHEMBL14346030 0.83 PTGS2 (1.00) PTGS2
SCHEMBL6398477 0.83 PTGS2 (1.00) PTGS2
SCHEMBL2007429 0.83 PTGS2 (0.72) 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-10752582-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2020-08-25 US disclosed
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2017-02-16 US disclosed
US-9512068-B2 Augmenting moieties for anti-inflammatory compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-06 US disclosed
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2016-02-04 US 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 (3 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-10752582-B2 Augmenting moieties for anti-inflammatory compounds PTGES, PTGES3, LRBA PTGS2 29/4885
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, ICAM1, VCAM1 PTGS2 12/4885
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA PTGS2 29/4885

“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.