SCHEMBL20042409

SCHEMBL20042409

NS(=O)(=O)c1ccc(-n2nc(-c3cccc(O)c3)cc2-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.69
CYP2C9 P11712 1/20 0.69
PTGS2 P35354 10/20 0.62
CA9 Q16790 6/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
PTGS1 P23219 2/20 0.60
PDPK1 O15530 1/20 0.58

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
SCHEMBL8111826 0.91 PTGS2 (0.69) MMP2CYP2C9PTGS2PTGS1PDPK1
SCHEMBL20042404 0.91 CYP2C9 (0.78) MMP2CYP2C9PTGS2CA9CA1
SCHEMBL18180791 0.91 PTGS2 (0.69) MMP2CYP2C9PTGS2CA1CA2
SCHEMBL20042416 0.89 CYP2C9 (0.78) MMP2CYP2C9PTGS2CA9CA1
SCHEMBL20042411 0.89 PTGS2 (0.62) MMP2CYP2C9PTGS2CA9CA1
SCHEMBL5698730 0.89 CYP2C9 (0.85) MMP2CYP2C9PTGS2CA9CA1
SCHEMBL18180789 0.88 PTGS2 (0.71) MMP2CYP2C9PTGS2CA9CA1
SCHEMBL8111976 0.86 PTGS2 (0.69) MMP2CYP2C9PTGS2CA9CA1
SCHEMBL20042424 0.86 CYP2C9 (0.58) MMP2CYP2C9PTGS2CA9CA1
SCHEMBL20042406 0.85 MMP2 (0.84) MMP2CYP2C9PTGS2CA9CA1

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-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
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 MMP2 1054/4885CYP2C9 67/4885PTGS2 3366/4885
US-11202773-B2 Locally bioavailable drugs ABCG2, FABP1, FABP2 MMP2 1054/4885CYP2C9 67/4885PTGS2 3366/4885

“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.