SCHEMBL18770117

SCHEMBL18770117

CC(C)(C)ONS(=O)(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.39
▸ ITGAV P06756 1/20 0.38
▸ BCAT2 O15382 1/20 0.37
▸ LOX P28300 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ BMP1 P13497 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL18770184 0.83 ACLY (0.42) ACLYITGAVBCAT2ALDH1A1NPSR1
SCHEMBL18770158 0.81 ACLY (0.41) ACLYITGAVBCAT2LOXHSD11B1
SCHEMBL20664199 0.76 ACLY (0.38) ACLYITGAVBCAT2LOXMEN1
SCHEMBL15953544 0.76 ITGAV (0.43) ACLYITGAVBCAT2MEN1KMT2A
SCHEMBL18770177 0.76 ITGAV (0.40) ACLYITGAVBCAT2LOXHSD11B1
SCHEMBL18770145 0.76 ITGAV (0.40) ACLYITGAVBCAT2LOXMEN1
SCHEMBL1926122 0.76 ITGAV (0.40) ACLYITGAVBCAT2MEN1KMT2A
SCHEMBL15953542 0.75 BCAT2 (0.45) ACLYITGAVBCAT2MEN1KMT2A
SCHEMBL1927897 0.75 ITGAV (0.42) ACLYITGAVBCAT2MEN1KMT2A
SCHEMBL14627755 0.75 CA1 (0.59) MEN1KMT2AALDH1A1ARSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365325-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2018-08-29 — — EP claimed
CN-108368038-A N- hydroxysulfonamide amine derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2018-08-03 — — CN claimed
WO-2017070084-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-27 — — WO claimed
US-10730828-B2 N-hydroxylsulfonamide derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-08-04 — — US disclosed
US-10730828-B2 N-hydroxylsulfonamide derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-08-04 — — US disclosed
US-20180305304-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2018-10-25 — — US disclosed
EP-3365325-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2018-08-29 — — EP disclosed
CN-108368038-A N- hydroxysulfonamide amine derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2018-08-03 — — CN disclosed
WO-2017070084-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-27 — — WO disclosed
WO-2017070084-A1 N-HYDROXYLSULFONAMIDE 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-20180305304-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NITROXYL DONORS TNNI3, TNNT2, TNNC1 ACLY 82/4885ITGAV 4450/4885BCAT2 2691/4885
US-10730828-B2 N-hydroxylsulfonamide derivatives as nitroxyl donors TNNI3, TNNT2, TNNC1 ACLY 82/4885ITGAV 4450/4885BCAT2 2691/4885

“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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