SCHEMBL18770390

SCHEMBL18770390

CCOC(=O)C(C)C(=O)c1ccc(S(=O)(=O)NC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ NHERF1 O14745 1/20 0.44
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 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
SCHEMBL12614743 0.80 KMT2A (0.72) KMT2AGAASMN1; SMN2NHERF1CA12
SCHEMBL18770546 0.80 L3MBTL1 (0.54) KMT2AGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL15045392 0.78 SMN1; SMN2 (0.52) GAASMN1; SMN2CA12CA1CA2
SCHEMBL28119887 0.78 LMNA (0.47) KMT2AGAASMN1; SMN2CA12CA1
SCHEMBL10275716 0.77 CA9 (0.59) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL18770380 0.77 KMT2A (0.51) KMT2AGAASMN1; SMN2NHERF1ALDH1A1
SCHEMBL10652250 0.75 LMNA (0.61) GAASMN1; SMN2CA12CA1CA2
SCHEMBL7434768 0.75 MAPT (0.46) KMT2AGAASMN1; SMN2NHERF1CA12
SCHEMBL5866532 0.75 KMT2A (0.57) KMT2ASMN1; SMN2CA12CA1CA2
SCHEMBL18770383 0.73 KMT2A (0.48) KMT2AGAASMN1; SMN2NHERF1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473439-B Pyrazolone derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-03-15 — — CN disclosed
US-10723704-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-07-28 — — US disclosed
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2018-11-08 — — US disclosed
EP-3365328-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2018-08-29 — — EP disclosed
WO-2017070081-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-27 — — 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 (2 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-10723704-B2 Pyrazolone derivatives as nitroxyl donors TNNI3, PFKP, NOX5 KMT2A 4665/4885GAA 1354/4885SMN1; SMN2 1078/4885
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 KMT2A 4665/4885GAA 1354/4885SMN1; SMN2 1078/4885

“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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