SCHEMBL8062230

SCHEMBL8062230

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.51
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GSTO1 P78417 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HSD11B1 P28845 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
SCHEMBL8066022 0.91 HSP90AA1 (0.55) TSHRHSP90AA1HSP90AB1SMN1; SMN2CYP1A2
SCHEMBL8067688 0.88 TSHR (0.42) TSHRSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL8051170 0.85 GSTO1 (0.46) TSHRSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL11886827 0.82 SMN1; SMN2 (0.52) TSHRHSP90AA1HSP90AB1SMN1; SMN2CYP1A2
SCHEMBL17359127 0.81 PDK2 (0.52) TSHRSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL11886812 0.80 GAA (0.45) TSHRSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL8054565 0.79 POLB (0.47) TSHRSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL17359125 0.77 KDM4E (0.47) TSHRSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL8061115 0.77 LMNA (0.47) TSHRSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL8061101 0.77 SMN1; SMN2 (0.44) TSHRSMN1; SMN2CYP1A2CYP2C19KMT2A

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 4193/4885HSP90AA1 1537/4885HSP90AB1 1403/4885
US-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 TSHR 2239/4885HSP90AA1 301/4885HSP90AB1 182/4885
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 TSHR 2239/4885HSP90AA1 301/4885HSP90AB1 182/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 TSHR 4331/4885HSP90AA1 1469/4885HSP90AB1 1319/4885
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 TSHR 2239/4885HSP90AA1 301/4885HSP90AB1 182/4885
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 TSHR 2239/4885HSP90AA1 301/4885HSP90AB1 182/4885

“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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