SCHEMBL2494822

SCHEMBL2494822

O=S(=O)(NOCc1ccccc1)c1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
POLB P06746 3/20 0.49
MAPT P10636 2/20 0.46
PLCG1 P19174 1/20 0.44
KMT2A Q03164 3/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
MEN1 O00255 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.40

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
SCHEMBL18770182 0.81 AR (0.44) KMT2ACA1CA2CA9CA4
SCHEMBL16425921 0.81 NSD2 (0.46) KMT2ACA1CA2CA9CA4
SCHEMBL18455317 0.81 KMT2A (0.44) TDP1KMT2ACA1CA2CA9
SCHEMBL2492544 0.79 CASP1 (0.44) KMT2ACA1CA2CA9
SCHEMBL10837819 0.78 KMT2A (0.64) KMT2ACA1CA2CA9
SCHEMBL1925760 0.76 POLB (0.56) TDP1POLBMAPTPLCG1KMT2A
SCHEMBL30586133 0.76 AR (0.62) TDP1KMT2ACA1CA2MEN1
SCHEMBL4421032 0.76 AR (0.62) TDP1KMT2ACA1CA2MEN1
SCHEMBL28885334 0.75 KMT2A (0.68) POLBMAPTKMT2ACA2CA9
SCHEMBL28926322 0.73 CA2 (0.59) KMT2ACA1CA2CA9CA4

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306056-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
EP-2586434-B3 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors UNIV JOHNS HOPKINS (US) 2022-04-06 EP disclosed
CN-109438298-B N-hydroxysulfonamide derivatives as physiologically valuable nitroxyl donors 约翰斯霍普金斯大学 2021-10-08 CN disclosed
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2021-02-25 US disclosed
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2021-02-25 US disclosed
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-11-10 US disclosed
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-11-10 US disclosed
EP-3693363-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS The Johns Hopkins University (US) 2020-08-12 EP disclosed
US-10730828-B2 N-hydroxylsulfonamide derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-08-04 US disclosed
US-10730828-B2 N-hydroxylsulfonamide derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-08-04 US disclosed
EP-2489350-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors Johns Hopkins University School of Medicine (US) 2012-08-22 EP disclosed
US-20110306614-A1 N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors THE JOHNS HOPKINS UNIVERSITY (US) 2011-12-15 US disclosed
US-20110306614-A1 N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors THE JOHNS HOPKINS UNIVERSITY (US) 2011-12-15 US disclosed
US-8030356-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-8030356-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-8030356-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors NATIONAL SCIENCE FOUNDATION 2007-12-27 US disclosed
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors NATIONAL SCIENCE FOUNDATION 2007-12-27 US disclosed
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors NATIONAL SCIENCE FOUNDATION 2007-12-27 US disclosed
WO-2007109175-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2007-09-27 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 (6 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-20110306614-A1 N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors TNNI3, TNNC1, NME4 TDP1 1101/4885POLB 3913/4885MAPT 4871/4885
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 TDP1 982/4885POLB 3738/4885MAPT 4874/4885
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 TDP1 982/4885POLB 3738/4885MAPT 4874/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 TDP1 1101/4885POLB 3913/4885MAPT 4871/4885
US-11306056-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 TDP1 982/4885POLB 3738/4885MAPT 4874/4885
US-10730828-B2 N-hydroxylsulfonamide derivatives as nitroxyl donors TNNI3, TNNT2, TNNC1 TDP1 1397/4885POLB 3270/4885MAPT 4447/4885

“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.