SCHEMBL5693264

SCHEMBL5693264

COC(=O)CC(C)(C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
CYP19A1 P11511 1/20 0.50
LMNA P02545 2/20 0.48
SLC10A6 Q3KNW5 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL31120657 0.83 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL5201127 0.83 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL20269669 0.81 THRB (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL4172892 0.81 KMT2A (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL13849424 0.80 ALDH1A1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL10309173 0.80 THRB (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL30823243 0.80 THRB (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL5692655 0.79 KMT2A (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL16941204 0.78 ALDH1A1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL18127253 0.78 CA1 (0.54) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337550-B1 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
US-6872805-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-29 US disclosed
EP-1337550-A2 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-27 EP disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US disclosed
WO-2002060926-A2 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP CA1 3824/4885CA2 4447/4885MMP1 2703/4885

“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.