SCHEMBL20044911

SCHEMBL20044911

COc1ccc(-c2cc(-c3ccc(O)cc3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.80
PTGS1 P23219 4/20 0.80
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA9 Q16790 1/20 0.68
CHRNA7 P36544 1/20 0.64
CYP2C9 P11712 1/20 0.62

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
SCHEMBL216745 0.94 PTGS2 (0.89) PTGS2PTGS1CA1CA2CA9
SCHEMBL8126154 0.91 CYP2C9 (0.70) PTGS2PTGS1CA1CA2CA9
SCHEMBL18826381 0.90 PTGS2 (0.82) PTGS2PTGS1CA1CA2CA9
SCHEMBL18180789 0.89 PTGS2 (0.71) PTGS2PTGS1CA1CA2CA9
SCHEMBL213881 0.89 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL8113323 0.89 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL18180817 0.87 CYP2C9 (0.80) PTGS2PTGS1CA1CA2CA9
SCHEMBL20044910 0.87 PTGS2 (0.70) PTGS2PTGS1CA1CA2CA9
SCHEMBL20042416 0.86 CYP2C9 (0.78) PTGS2PTGS1CA1CA2CA9
SCHEMBL6452272 0.85 PTGS2 (0.92) PTGS2PTGS1CA1CA2CA9

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-11202773-B2 Locally bioavailable drugs UNIVERSITY OF HOUSTON SYSTEM (US) 2021-12-21 US disclosed
US-20180098965-A1 LOCALLY BIOAVAILABLE DRUGS UNIVERSITY OF HOUSTON SYSTEM (US) 2018-04-12 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 (2 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-20180098965-A1 LOCALLY BIOAVAILABLE DRUGS ABCG2, FABP1, FABP2 PTGS2 3366/4885PTGS1 3087/4885CA1 3736/4885
US-11202773-B2 Locally bioavailable drugs ABCG2, FABP1, FABP2 PTGS2 3366/4885PTGS1 3087/4885CA1 3736/4885

“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.