SCHEMBL20042403

SCHEMBL20042403

CNCc1ccc(-c2cc(-c3ccc(O)cc3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.59
PTGS2 P35354 16/20 0.58
PTGS1 P23219 2/20 0.55
MMP2 P08253 2/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PDPK1 O15530 1/20 0.50

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
SCHEMBL20042424 0.90 CYP2C9 (0.58) CYP2C9PTGS2PTGS1MMP2CA1
SCHEMBL8126154 0.88 CYP2C9 (0.70) CYP2C9PTGS2PTGS1MMP2CA1
SCHEMBL20042418 0.88 MMP2 (0.62) CYP2C9PTGS2PTGS1MMP2CA1
SCHEMBL20042417 0.87 PTGS2 (0.67) CYP2C9PTGS2PTGS1MMP2CA1
SCHEMBL18180817 0.85 CYP2C9 (0.80) CYP2C9PTGS2PTGS1MMP2CA1
SCHEMBL20042416 0.83 CYP2C9 (0.78) CYP2C9PTGS2PTGS1MMP2CA1
SCHEMBL8114069 0.82 PTGS2 (0.79) CYP2C9PTGS2PTGS1MMP2PDPK1
SCHEMBL20042427 0.82 PTGS2 (0.79) CYP2C9PTGS2PTGS1MMP2CA1
SCHEMBL6906481 0.82 PTGS2 (0.79) CYP2C9PTGS2PTGS1MMP2PDPK1
SCHEMBL20044911 0.82 PTGS2 (0.80) CYP2C9PTGS2PTGS1CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CYP2C9 67/4885PTGS2 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.