SCHEMBL8224043

SCHEMBL8224043

Cc1cccc(S(=O)(=O)NO)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
MMP1 P03956 4/20 0.59
MMP2 P08253 4/20 0.59
MMP9 P14780 4/20 0.59
MMP8 P22894 4/20 0.59
MMP13 P45452 4/20 0.59
MEN1 O00255 1/20 0.56
FBP1 P09467 10/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL12190292 0.85 CA1 (0.70) KMT2ACA1CA2MMP1MMP2
SCHEMBL6920158 0.83 KMT2A (0.69) KMT2AMEN1FBP1ALDH1A1MAPT
SCHEMBL29547938 0.82 KMT2A (0.67) KMT2AMEN1FBP1ALDH1A1MAPT
SCHEMBL1087618 0.82 KMT2A (0.67) KMT2AMEN1FBP1ALDH1A1MAPT
SCHEMBL9090583 0.81 FBP1 (0.65) KMT2AFBP1ALDH1A1MAPTHPGD
SCHEMBL418539 0.80 KMT2A (0.65) KMT2AMEN1FBP1ALDH1A1MAPT
SCHEMBL22446712 0.80 KMT2A (0.65) KMT2AMEN1FBP1ALDH1A1MAPT
SCHEMBL29528116 0.80 CA1 (0.57) KMT2ACA1CA2MMP1MMP2
SCHEMBL15879184 0.80 CA1 (0.57) KMT2ACA1CA2MMP1MMP2
SCHEMBL12520277 0.80 KMT2A (0.65) KMT2AMEN1FBP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066002-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX CARDIOXYL PHARMACEUTICALS, INC. 2024-02-29 US disclosed
US-11786501-B2 Nitroxyl donors with improved therapeutic index CARDIOXYL PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-11-10 US disclosed
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2019-05-16 US disclosed
EP-3427728-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2019-01-16 EP disclosed
US-9968584-B2 Nitroxyl donors with improved therapeutic index CARDIOXYL PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170151210-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX CARDIOXYL PHARMACEUTICALS, INC. 2017-06-01 US disclosed
US-9586896-B2 Nitroxyl donors with improved therapeutic index CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed
US-20160031807-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX CARDIOXYL PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2015-12-24 US disclosed
US-9156804-B2 Nitroxyl donors with improved therapeutic index CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20150175566-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX CARDIOXYL PHARMACEUTICALS, INC. 2015-06-25 US disclosed
US-8987326-B2 Nitroxyl donors with improved therapeutic index CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
US-20140206769-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-24 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 (9 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-20140206769-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX TNNI3, TNNT2, TNNC1 KMT2A 4186/4885CA1 2934/4885CA2 2484/4885
US-11786501-B2 Nitroxyl donors with improved therapeutic index TNNI3, TNNT2, TNNC1 KMT2A 4186/4885CA1 2934/4885CA2 2484/4885
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 KMT2A 4748/4885CA1 2645/4885CA2 1468/4885
US-20150175566-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX TNNI3, TNNT2, TNNC1 KMT2A 4186/4885CA1 2934/4885CA2 2484/4885
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 KMT2A 4748/4885CA1 2645/4885CA2 1468/4885
US-20160031807-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX TNNI3, TNNT2, TNNC1 KMT2A 4186/4885CA1 2934/4885CA2 2484/4885
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 KMT2A 3220/4885CA1 4828/4885CA2 4041/4885
US-20240066002-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX TNNI3, TNNT2, TNNC1 KMT2A 4186/4885CA1 2934/4885CA2 2484/4885
US-20170151210-A1 NITROXYL DONORS WITH IMPROVED THERAPEUTIC INDEX TNNI3, TNNT2, TNNC1 KMT2A 4186/4885CA1 2934/4885CA2 2484/4885

“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.