SCHEMBL1767735

SCHEMBL1767735

O=S(=O)(NO)c1ccc(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
MMP13 P45452 3/20 0.50
PFKFB3 Q16875 1/20 0.46
AKR1B1 P15121 1/20 0.44
ACLY P53396 2/20 0.43
BRD4 O60885 4/20 0.42
CCR1 P32246 1/20 0.42
BMP1 P13497 1/20 0.42
EPHX2 P34913 1/20 0.41
KMT2A Q03164 1/20 0.41
ADAM17 P78536 1/20 0.41
CCR2 P41597 1/20 0.40
CNR2 P34972 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B3 P37058 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
SCHEMBL6258831 0.81 AKR1B1 (0.44) PFKFB3AKR1B1ACLYBRD4CCR1
SCHEMBL1767675 0.81 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL15880564 0.79 HSD17B10 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL29707972 0.79 HSD17B10 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL22315384 0.79 MCL1 (0.54) CA1CA2PFKFB3ACLYBRD4
SCHEMBL2050647 0.79 AKR1B1 (0.47) PFKFB3AKR1B1ACLYBRD4CCR1
SCHEMBL30860761 0.79 AKR1B1 (0.47) PFKFB3AKR1B1ACLYBRD4CCR1
SCHEMBL1767676 0.78 CA1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL1767770 0.78 KMT2A (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL15881204 0.78 CA1 (0.50) 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 65 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-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
WO-2011063400-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
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2019-05-16 US disclosed
WO-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
WO-2011063400-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 (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-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION NOS2, NOS3, NOS1 CA1 3786/4885CA2 459/4885MMP1 1456/4885
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 CA1 2645/4885CA2 1468/4885MMP1 2368/4885
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 CA1 2645/4885CA2 1468/4885MMP1 2368/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 CA1 3870/4885CA2 747/4885MMP1 1165/4885
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 CA1 2645/4885CA2 1468/4885MMP1 2368/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 CA1 2599/4885CA2 1456/4885MMP1 2327/4885

“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.