SCHEMBL6851577

SCHEMBL6851577

NS(=O)(=O)c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
NPSR1 Q6W5P4 2/20 0.66
GAA P10253 1/20 0.66
CA2 P00918 8/20 0.58
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA9 Q16790 5/20 0.55
VCAM1 P19320 1/20 0.50
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA5A P35218 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.47
PDE7A Q13946 1/20 0.47

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
SCHEMBL641412 0.76 MAPT (0.67) MAPTNPSR1GAAALDH1A1KMT2A
SCHEMBL10528943 0.73 CA2 (1.00) MAPTGAACA2ALDH1A1KMT2A
SCHEMBL6114282 0.72 CA2 (0.70) MAPTGAACA2ALDH1A1KMT2A
SCHEMBL1959737 0.72 CA2 (1.00) MAPTGAACA2ALDH1A1KMT2A
SCHEMBL27915770 0.71 CA2 (0.72) MAPTGAACA2ALDH1A1KMT2A
SCHEMBL10529622 0.71 CA2 (1.00) CA2ALDH1A1CA12CA1CA9
SCHEMBL2831588 0.70 CA2 (0.66) MAPTGAACA2ALDH1A1KMT2A
SCHEMBL28387623 0.69 HTT (0.60) MAPTNPSR1CA2ALDH1A1KMT2A
SCHEMBL6515861 0.69 ALDH1A1 (0.55) MAPTGAACA2ALDH1A1KMT2A
SCHEMBL29242001 0.69 CA2 (0.68) MAPTGAACA2ALDH1A1KMT2A

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 4 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
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO 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 MAPT 3370/4885NPSR1 2901/4885GAA 229/4885

“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.