SCHEMBL20042436

SCHEMBL20042436

CCCc1cccc(OCc2cc(-c3ccc(C)cc3)n(-c3ccc(S(=O)(=O)ON)cc3)n2)c1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.48
CA9 Q16790 5/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
PTGS1 P23219 6/20 0.44
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL20042412 0.90 PTGS2 (0.57) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042415 0.90 PTGS2 (0.52) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042432 0.89 PTGS2 (0.47) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042408 0.83 PTGS2 (0.59) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042420 0.82 PTGS2 (0.56) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042414 0.82 PTGS2 (0.56) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042421 0.79 PTGS2 (0.52) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042437 0.79 PTGS2 (0.54) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042439 0.78 PTGS2 (0.50) PTGS2CA9CA1CA2PTGS1
SCHEMBL20042428 0.78 PTGS2 (0.53) PTGS2CA9CA1CA2PTGS1

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 PTGS2 3366/4885CA9 2805/4885CA1 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.