SCHEMBL1767770

SCHEMBL1767770

O=S(=O)(NO)c1ccc(F)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
MMP1 P03956 5/20 0.50
MMP2 P08253 5/20 0.50
MMP9 P14780 5/20 0.50
MMP8 P22894 5/20 0.50
MMP13 P45452 5/20 0.50
MEP1B Q16820 1/20 0.41
EPHX2 P34913 1/20 0.40
PTGES2 Q9H7Z7 3/20 0.40
METAP2 P50579 3/20 0.39
PKM P14618 1/20 0.37
EGFR P00533 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL1768004 0.81 CA1 (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL1767675 0.81 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL18455303 0.78 CA1 (0.41) KMT2ACA1CA2MMP1MMP2
SCHEMBL1767735 0.78 CA1 (0.50) KMT2ACA1CA2MMP1MMP2
SCHEMBL15881204 0.78 CA1 (0.50) KMT2ACA1CA2MMP1MMP2
SCHEMBL29536726 0.77 CA1 (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL11962947 0.77 CA1 (0.53) KMT2ACA1CA2MMP1MMP2
Hydrochloric Acid SCHEMBL28140803 0.77 KMT2A (0.47) KMT2ACA1CA2MEP1BEPHX2
SCHEMBL23978197 0.76 CA2 (0.50) KMT2ACA1CA2PTGES2
SCHEMBL14677037 0.76 KMT2A (0.51) KMT2AMMP1MMP2MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504003-B1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS INC (US) 2016-11-09 EP claimed
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. 2016-03-24 US claimed
US-RE45314-E1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-30 US claimed
EP-2504003-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION Cardioxyl Pharmaceuticals Inc. (US) 2012-10-03 EP claimed
US-8030356-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-10-04 US claimed
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-06-30 US claimed
WO-2011063400-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
WO-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
EP-2586434-B3 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors UNIV JOHNS HOPKINS (US) 2022-04-06 EP 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
EP-3693363-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS The Johns Hopkins University (US) 2020-08-12 EP disclosed
EP-3124471-B1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS UNIV JOHNS HOPKINS (US) 2020-06-03 EP disclosed
EP-3124471-B1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS UNIV JOHNS HOPKINS (US) 2020-06-03 EP disclosed
WO-2011063400-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
WO-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
CN-101472576-A N-hydroxysulfonamide derivatives as novel physiologically valuable nitroxyl donors UNIV JOHNS HOPKINS (US) 2009-07-01 CN 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 (5 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-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION NOS2, NOS3, NOS1 KMT2A 2073/4885CA1 3786/4885CA2 459/4885
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 KMT2A 4748/4885CA1 2645/4885CA2 1468/4885
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 KMT2A 4748/4885CA1 2645/4885CA2 1468/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 KMT2A 1142/4885CA1 3870/4885CA2 747/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 KMT2A 4701/4885CA1 2599/4885CA2 1456/4885

“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.