SCHEMBL6848692

SCHEMBL6848692

COc1cccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.70
RXFP1 Q9HBX9 2/20 0.70
MEN1 O00255 5/20 0.69
CA1 P00915 6/20 0.67
CA2 P00918 6/20 0.67
MAPT P10636 2/20 0.67
THRB P10828 1/20 0.67
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
ALDH1A1 P00352 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
G6PD P11413 1/20 0.65
TP53 P04637 1/20 0.65
POLB P06746 1/20 0.63
NPSR1 Q6W5P4 2/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL6850079 0.85 CA1 (0.72) KMT2ARXFP1MEN1CA1CA2
SCHEMBL9795960 0.81 CA2 (1.00) CA1CA2MAPTTHRBNPC1
SCHEMBL24599320 0.79 CA1 (0.67) KMT2AMEN1CA1CA2MAPT
SCHEMBL6850255 0.76 CA1 (0.69) KMT2AMEN1CA1CA2MAPT
SCHEMBL14316971 0.76 CA1 (0.78) KMT2ARXFP1MEN1CA1CA2
SCHEMBL16383889 0.76 NPC1 (0.70) KMT2ARXFP1MEN1MAPTNPC1
SCHEMBL6225392 0.74 NPC1 (0.69) KMT2ARXFP1MEN1CA1CA2
SCHEMBL13739962 0.74 CA2 (0.74) CA1CA2CA4CA7
SCHEMBL18762165 0.74 NPC1 (0.74) KMT2ARXFP1MEN1MAPTNPC1
SCHEMBL3974838 0.74 CA1 (0.78) KMT2AMEN1CA1CA2THRB

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 KMT2A 324/4885RXFP1 3892/4885MEN1 4642/4885

“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.