SCHEMBL6848937

SCHEMBL6848937

NS(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.68
CA9 Q16790 10/20 0.68
CA1 P00915 10/20 0.68
CA13 Q8N1Q1 4/20 0.68
MAOB P27338 1/20 0.68
CA12 O43570 7/20 0.63
PTGS1 P23219 2/20 0.56
PTGS2 P35354 2/20 0.56
CA4 P22748 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
MAPT P10636 1/20 0.53
TTK P33981 2/20 0.51
LRRK2 Q5S007 1/20 0.51

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
SCHEMBL28032548 0.88 CA2 (0.73) CA2CA9CA1CA13CA12
SCHEMBL1926937 0.84 CA2 (0.67) CA2CA9CA1CA13CA12
SCHEMBL7113274 0.83 CA2 (0.68) CA2CA9CA1CA13CA12
SCHEMBL787675 0.83 CA2 (0.49) CA2CA9CA1CA13MAOB
SCHEMBL28298612 0.81 CA2 (0.75) CA2CA9CA1CA13CA12
SCHEMBL27990769 0.81 MAOA (0.68) CA2CA9CA1MAOBCA12
SCHEMBL308569 0.81 KAT6A (0.50) CA2CA9CA1CA13MAOB
SCHEMBL6850257 0.81 MAOA (0.68) CA2CA9CA1MAOBCA12
SCHEMBL31287803 0.80 CA2 (0.56) CA2CA9CA1CA13MAOB
SCHEMBL6475078 0.80 CA2 (0.86) CA2CA9CA1CA13MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 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-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 CA2 869/4885CA9 659/4885CA1 695/4885

“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.