SCHEMBL6850381

SCHEMBL6850381

N#Cc1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.72
CA2 P00918 17/20 0.72
CA4 P22748 5/20 0.72
CA7 P43166 5/20 0.72
CA9 Q16790 4/20 0.58
CA12 O43570 2/20 0.54
MEN1 O00255 1/20 0.52
CA11 O75493 1/20 0.52
CA3 P07451 1/20 0.52
THRB P10828 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
MAOA P21397 1/20 0.52

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
SCHEMBL3974838 0.83 CA1 (0.78) CA1CA2CA4CA7CA9
SCHEMBL14316971 0.83 CA1 (0.78) CA1CA2CA4CA7CA9
SCHEMBL9795960 0.82 CA2 (1.00) CA1CA2CA4CA7CA9
SCHEMBL13739962 0.81 CA2 (0.74) CA1CA2CA4CA7CA9
SCHEMBL22118522 0.80 CA1 (0.72) CA1CA2CA4CA7CA9
SCHEMBL6850079 0.80 CA1 (0.72) CA1CA2CA4CA7CA9
SCHEMBL14315047 0.80 CA1 (0.76) CA1CA2CA4CA7CA9
SCHEMBL7482494 0.77 CA1 (0.55) CA1CA2CA4CA7CA9
SCHEMBL21558901 0.76 CA1 (0.67) CA1CA2CA4CA7CA9
SCHEMBL6850255 0.75 CA1 (0.69) CA1CA2CA4CA7CA9

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 CA1 695/4885CA2 869/4885CA4 1108/4885

“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.