SCHEMBL20042404

SCHEMBL20042404

Cc1ccc(-c2cc(-c3cccc(O)c3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.78
PTGS2 P35354 14/20 0.61
CA9 Q16790 3/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
PDPK1 O15530 2/20 0.59
PTGS1 P23219 2/20 0.59
PTGES O14684 1/20 0.59
HDAC3 O15379 1/20 0.59
CA12 O43570 1/20 0.59
PDE5A O76074 1/20 0.59
ABCB11 O95342 1/20 0.59
MT-CO2 P00403 1/20 0.59
LMNA P02545 1/20 0.59
CA3 P07451 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX5 P09917 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CYP2D6 P10635 1/20 0.59
ADRB3 P13945 1/20 0.59

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
SCHEMBL20042409 0.91 MMP2 (0.69) CYP2C9PTGS2CA9CA1CA2
SCHEMBL18180791 0.89 PTGS2 (0.69) CYP2C9PTGS2CA1CA2PDPK1
SCHEMBL8111826 0.89 PTGS2 (0.69) CYP2C9PTGS2PDPK1PTGS1MMP2
SCHEMBL18180817 0.89 CYP2C9 (0.80) CYP2C9PTGS2CA9CA1CA2
SCHEMBL18180789 0.89 PTGS2 (0.71) CYP2C9PTGS2CA9CA1CA2
SCHEMBL212919 0.87 CYP2C9 (0.90) CYP2C9PTGS2CA9CA1CA2
SCHEMBL20042411 0.87 PTGS2 (0.62) CYP2C9PTGS2CA9CA1CA2
SCHEMBL20042424 0.86 CYP2C9 (0.58) CYP2C9PTGS2CA9CA1CA2
SCHEMBL8111976 0.85 PTGS2 (0.69) CYP2C9PTGS2CA9CA1CA2
SCHEMBL18180816 0.84 CYP2C9 (0.77) CYP2C9PTGS2CA9CA1CA2

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 CYP2C9 67/4885PTGS2 3366/4885CA9 2805/4885
US-11202773-B2 Locally bioavailable drugs ABCG2, FABP1, FABP2 CYP2C9 67/4885PTGS2 3366/4885CA9 2805/4885

“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.