SCHEMBL8067688

SCHEMBL8067688

O=C(c1ccc(Cl)c(S(=O)(=O)NO)c1)N(CCO)CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ NTRK2 Q16620 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GSTO1 P78417 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LIMK2 P53671 1/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL8062230 0.88 TSHR (0.51) TSHRKDM4EGSTO1SMN1; SMN2POLB
SCHEMBL17359127 0.85 PDK2 (0.52) TSHRKDM4EGSTO1HTTCA1
SCHEMBL8051170 0.82 GSTO1 (0.46) TSHRKDM4EGSTO1HTTCA1
SCHEMBL8061115 0.81 LMNA (0.47) TSHRKDM4EGSTO1SMN1; SMN2CYP1A2
SCHEMBL8066022 0.81 HSP90AA1 (0.55) TSHRKDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL17359125 0.77 KDM4E (0.47) TSHRKDM4EHTTCA1CA2
SCHEMBL8054565 0.76 POLB (0.47) TSHRKDM4EHTTSMN1; SMN2POLB
SCHEMBL17615046 0.76 TSHR (0.47) TSHRNTRK2KDM4EHTTPOLB
SCHEMBL11886812 0.75 GAA (0.45) TSHRKDM4EHTTGAASMN1; SMN2
SCHEMBL11886827 0.74 SMN1; SMN2 (0.52) TSHRKDM4EHTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617208-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-11 — — US disclosed
US-9617208-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-11 — — US disclosed
EP-2190814-B1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS UNIV JOHNS HOPKINS (US) 2017-02-01 — — EP disclosed
EP-2504003-B1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS INC (US) 2016-11-09 — — EP disclosed
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. 2016-03-24 — — US disclosed
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-11-26 — — US disclosed
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-11-26 — — US disclosed
US-9115064-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-25 — — US disclosed
US-9115064-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-25 — — US disclosed
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-10 — — US disclosed
US-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2012-10-11 — — US disclosed
US-8227639-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS (US) 2012-07-24 — — US disclosed
US-8227639-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS (US) 2012-07-24 — — US disclosed
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-06-30 — — US disclosed
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-06-30 — — 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
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2009-06-25 — — US disclosed
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2009-06-25 — — US disclosed
WO-2009042970-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS JOHNS HOPKINS UNIVERSITY (US) 2009-04-02 — — 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 TSHR 4193/4885NTRK2 3439/4885KDM4E 931/4885
US-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 TSHR 2239/4885NTRK2 989/4885KDM4E 2974/4885
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 TSHR 2239/4885NTRK2 989/4885KDM4E 2974/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 TSHR 4331/4885NTRK2 1987/4885KDM4E 817/4885
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 TSHR 2239/4885NTRK2 989/4885KDM4E 2974/4885
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 TSHR 2239/4885NTRK2 989/4885KDM4E 2974/4885

“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.

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