SCHEMBL18770112

SCHEMBL18770112

O=C(O)c1cc(S(=O)(=O)NOCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ CISD1 Q9NZ45 2/20 0.45
▸ FABP4 P15090 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CA3 P07451 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA6 P23280 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA13 Q8N1Q1 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL18770180 0.90 NPC1 (0.54) CA12CA1CA2CA9CISD1
SCHEMBL3527661 0.83 ATM (0.47) CA12CA1CA2CA9CISD1
SCHEMBL6250677 0.77 TSHR (0.61) CA12CA1CA2CA9CISD1
SCHEMBL18770125 0.76 APP (0.71) CA12CA1CA2CA9CISD1
SCHEMBL13544474 0.74 APP (0.50) CA12CA1CA2CA9CISD1
SCHEMBL13544492 0.73 ATM (0.57) CA12CA1CA2CA9CISD1
SCHEMBL3860957 0.72 EPHX2 (0.45) CA12CA1CA2CA9CISD1
SCHEMBL13544481 0.71 ATM (0.48) CA12CA1CA2CA9CISD1
SCHEMBL13544476 0.71 KDM4E (0.52) CA12CA1CA2CA9CISD1
SCHEMBL7228486 0.71 TSHR (0.47) CA12CA1CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA12 3219/4885CA1 2720/4885CA2 2039/4885
US-10730828-B2 N-hydroxylsulfonamide derivatives as nitroxyl donors TNNI3, TNNT2, TNNC1 CA12 3219/4885CA1 2720/4885CA2 2039/4885

“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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