SCHEMBL18770140

SCHEMBL18770140

O=C(NOCc1ccccc1)c1cc(S(=O)(=O)NOCc2ccccc2)c(Cl)cc1NCc1ccco1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AQP1 P29972 1/20 0.63
▸ APP P05067 9/20 0.59
▸ CA12 O43570 6/20 0.59
▸ CA1 P00915 6/20 0.59
▸ CA2 P00918 6/20 0.59
▸ CA6 P23280 6/20 0.59
▸ CA7 P43166 6/20 0.59
▸ CA9 Q16790 6/20 0.59
▸ CA14 Q9ULX7 6/20 0.59
▸ CA5B Q9Y2D0 6/20 0.59
▸ CA5A P35218 5/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CISD1 Q9NZ45 2/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ CA4 P22748 1/20 0.59
▸ HSD11B1 P28845 1/20 0.59
▸ SLC10A1 Q14973 1/20 0.59
▸ GPR35 Q9HC97 1/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ TEX264 Q9Y6I9 1/20 0.56

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
SCHEMBL18770125 0.92 APP (0.71) AQP1APPCA12CA1CA2
SCHEMBL230206 0.79 CA12 (0.73) AQP1APPCA12CA1CA2
SCHEMBL29436046 0.79 CA1 (0.79) AQP1APPCA12CA1CA2
SCHEMBL12418656 0.78 AQP1 (0.82) AQP1APPCA12CA1CA2
SCHEMBL18770180 0.78 NPC1 (0.54) CA12CA1CA2CA6CA7
SCHEMBL12418652 0.77 AQP1 (1.00) AQP1APPCA12CA1CA2
SCHEMBL12418662 0.76 CA12 (0.68) AQP1APPCA12CA1CA2
SCHEMBL22852419 0.76 APP (0.82) AQP1APPCA12CA1CA2
SCHEMBL22852414 0.76 APP (0.74) AQP1APPCA12CA1CA2
SCHEMBL10837475 0.76 CA12 (0.82) AQP1APPCA12CA1CA2

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 8 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
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
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 AQP1 2968/4885APP 4155/4885CA12 3219/4885
US-10730828-B2 N-hydroxylsulfonamide derivatives as nitroxyl donors TNNI3, TNNT2, TNNC1 AQP1 2968/4885APP 4155/4885CA12 3219/4885

“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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