SCHEMBL20042427

SCHEMBL20042427

NS(=O)(=O)c1ccc(-n2nc(-c3ccc(O)cc3)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.79
PTGS1 P23219 3/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CYP2C9 P11712 1/20 0.63
CHRNA7 P36544 2/20 0.61
MMP2 P08253 2/20 0.60

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
SCHEMBL8119339 0.94 PTGS2 (0.88) PTGS2PTGS1CA1CA2CYP2C9
SCHEMBL8126154 0.94 CYP2C9 (0.70) PTGS2PTGS1CA1CA2CYP2C9
SCHEMBL27605220 0.89 PTGS2 (0.80) PTGS2PTGS1CA1CA2CYP2C9
SCHEMBL20042416 0.89 CYP2C9 (0.78) PTGS2PTGS1CA1CA2CYP2C9
SCHEMBL18180791 0.89 PTGS2 (0.69) PTGS2PTGS1CA1CA2CYP2C9
SCHEMBL6906481 0.88 PTGS2 (0.79) PTGS2PTGS1CYP2C9CHRNA7MMP2
SCHEMBL8111712 0.88 PTGS2 (0.79) PTGS2PTGS1CA1CA2CYP2C9
SCHEMBL18180817 0.88 CYP2C9 (0.80) PTGS2PTGS1CA1CA2CYP2C9
SCHEMBL8114069 0.88 PTGS2 (0.79) PTGS2PTGS1CYP2C9CHRNA7MMP2
SCHEMBL8126855 0.88 PTGS2 (0.79) PTGS2PTGS1CA1CA2CYP2C9

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 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.