SCHEMBL20998613

SCHEMBL20998613

O=S(=O)(NO)c1ccccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.58
MMP2 P08253 6/20 0.51
MMP13 P45452 6/20 0.51
MMP9 P14780 4/20 0.51
MMP8 P22894 4/20 0.51
MMP1 P03956 4/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
MMP14 P50281 2/20 0.47
MMP3 P08254 1/20 0.47
MMP12 P39900 1/20 0.47
MMP16 P51512 1/20 0.47
ADAMTS4 O75173 1/20 0.44
MEP1B Q16820 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
ACLY P53396 1/20 0.44

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
SCHEMBL12213876 0.84 CASP1 (0.47) CASP1MMP2MMP13MMP9MMP8
SCHEMBL7953769 0.82 CASP1 (0.55) CASP1
SCHEMBL12190245 0.82 MMP1 (0.54) CASP1MMP2MMP13MMP9MMP8
SCHEMBL10849395 0.80 CASP1 (0.57) CASP1MMP2MMP13MMP9MMP8
SCHEMBL32661421 0.79 CASP1 (0.51) CASP1MMP2MMP13MMP9MMP8
SCHEMBL158361 0.79 CASP1 (0.51) CASP1MMP2MMP13MMP9MMP8
SCHEMBL146565 0.79 CASP1 (0.50) CASP1MMP2MMP13MMP9MMP8
SCHEMBL502864 0.79 CASP1 (0.50) CASP1MMP2MMP13MMP9MMP8
SCHEMBL1745319 0.78 CASP1 (0.51) CASP1MMP2MMP13
Ammonia Solution, Strong SCHEMBL1120715 0.78 CASP1 (0.50) CASP1MMP2MMP13MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2019-05-16 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-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 CASP1 1917/4885MMP2 4284/4885MMP13 4273/4885

“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.