SCHEMBL20042405

SCHEMBL20042405

NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.70
PTGS2 P35354 10/20 0.69
PTGS1 P23219 3/20 0.63
CYP2C9 P11712 1/20 0.60
CHRNA7 P36544 2/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 2/20 0.59
CA12 O43570 1/20 0.59
PDPK1 O15530 1/20 0.56

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
SCHEMBL20042406 0.91 MMP2 (0.84) MMP2PTGS2PTGS1CYP2C9CA1
SCHEMBL6906476 0.89 MMP2 (0.70) MMP2PTGS2PTGS1CYP2C9CHRNA7
SCHEMBL18180816 0.89 CYP2C9 (0.77) MMP2PTGS2PTGS1CYP2C9CA1
SCHEMBL27605220 0.87 PTGS2 (0.80) MMP2PTGS2PTGS1CYP2C9CA1
SCHEMBL8119339 0.87 PTGS2 (0.88) MMP2PTGS2PTGS1CYP2C9CHRNA7
SCHEMBL20042410 0.87 MMP2 (0.67) MMP2PTGS2CYP2C9CA1CA2
SCHEMBL20042427 0.86 PTGS2 (0.79) MMP2PTGS2PTGS1CYP2C9CHRNA7
SCHEMBL20044910 0.86 PTGS2 (0.70) MMP2PTGS2PTGS1CYP2C9CHRNA7
SCHEMBL6309469 0.85 PTGS2 (0.58) MMP2PTGS2PTGS1CYP2C9CHRNA7
SCHEMBL18180791 0.84 PTGS2 (0.69) MMP2PTGS2PTGS1CYP2C9CHRNA7

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 1054/4885PTGS2 3366/4885PTGS1 3087/4885
US-11202773-B2 Locally bioavailable drugs ABCG2, FABP1, FABP2 MMP2 1054/4885PTGS2 3366/4885PTGS1 3087/4885

“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.