SCHEMBL6928592

SCHEMBL6928592

C=CC(Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
AR P10275 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 2/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL15311836 0.82 CYP19A1 (0.56) CYP19A1CA1CA2MMP1MMP2
SCHEMBL6448643 0.75 TAAR1 (0.41) CA2KMT2AMEN1POLB
SCHEMBL6448639 0.75 TAAR1 (0.41) CA2KMT2AMEN1POLB
SCHEMBL5679181 0.75 CASP1 (0.64) CYP19A1CA1CA2MMP1MMP2
SCHEMBL28065357 0.75 CA1 (0.55) CYP19A1CA1CA2MMP1MMP2
SCHEMBL31120596 0.75 POLB (0.67) CYP19A1CA1CA2MMP1MMP2
SCHEMBL970181 0.74 CA1 (0.55) CYP19A1CA1CA2MMP1MMP2
SCHEMBL970180 0.74 CA1 (0.55) CYP19A1CA1CA2MMP1MMP2
SCHEMBL18379513 0.74 POLB (0.54) CYP19A1CA1CA2MMP1MMP2
SCHEMBL4504076 0.73 CYP19A1 (0.83) CYP19A1CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321454-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL Kaneka Corporation (JP) 2003-06-25 EP disclosed
US-6515179-B2 Reacting nitrobenzenesulfonyl group containing compound contacting with alkali metal alkoxide KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL KANEKA CORPORATION (JP) 2003-01-09 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-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL NAAA, TST, AADAC CYP19A1 1518/4885CA1 1849/4885CA2 644/4885

“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.