Sugi Predict

Sugi Predict / Compounds / SCHEMBL121841

SCHEMBL121841

SCHEMBL121841

O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.80
▸ CA2 P00918 3/20 0.73
▸ CA1 P00915 2/20 0.73
▸ KEAP1 Q14145 1/20 0.69
▸ CA12 O43570 3/20 0.64
▸ CA9 Q16790 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ ATM Q13315 1/20 0.64
▸ VCAM1 P19320 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ ALDH1A1 P00352 5/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ OPRM1 P35372 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ MAPT P10636 1/20 0.58

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
SCHEMBL2496626 0.95 CYP19A1 (0.74) CYP19A1CA2CA1KEAP1CA12
SCHEMBL4661775 0.95 CA2 (0.76) CYP19A1CA2CA1KEAP1CA12
SCHEMBL22234206 0.85 CYP19A1 (0.68) CYP19A1CA2CA1CA12CA9
SCHEMBL30075076 0.85 CYP19A1 (0.86) CYP19A1CA2CA1KEAP1CYP1A2
SCHEMBL4661602 0.85 CYP19A1 (0.82) CYP19A1CA2CA1KEAP1CA12
SCHEMBL4349159 0.85 CYP19A1 (0.86) CYP19A1CA2CA1KEAP1CYP1A2
SCHEMBL19358908 0.83 CXCR4 (0.70) CYP19A1CA2CA1ALDH1A1MEN1
SCHEMBL20379570 0.83 CYP19A1 (0.82) CYP19A1CA2CA1CYP1A2CYP3A4
SCHEMBL10494697 0.83 MAPT (0.60) CYP19A1CA2CA1CA12CYP1A2
SCHEMBL407414 0.82 KEAP1 (1.00) CA2CA1KEAP1CA12CA9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117499-B Preparation method of alpha aryl amidine imine derivative 上海应用技术大学 2020-10-09 — — CN claimed
CN-108117499-A A kind of preparation method of α aryl amidine imine derivative 上海应用技术大学 2018-06-05 — — CN claimed
CN-1901902-A Thiophene and benzothiophene hydroxamic acid derivatives ATON PHARMA INC (US) 2007-01-24 — — CN claimed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 — — EP disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 — — US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 — — US disclosed
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 — — US disclosed
US-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-27 — — US disclosed
CN-110194738-B Preparation method of 1,2, 3-trisubstituted 4-quinolone derivative 华侨大学 2022-04-05 — — CN disclosed
EP-3854786-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API Corporation (JP) 2021-07-28 — — EP disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 — — US disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 — — US disclosed
EP-2424517-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc (JP) 2012-03-07 — — EP disclosed
WO-2010125831-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2010-11-04 — — WO disclosed
CN-1901902-A Thiophene and benzothiophene hydroxamic acid derivatives ATON PHARMA INC (US) 2007-01-24 — — CN disclosed
US-6949567-B2 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2005-09-27 — — US disclosed
EP-1395548-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2004-03-10 — — EP disclosed
US-20030119876-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2003-06-26 — — US disclosed
US-20020165236-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2002-11-07 — — US disclosed
WO-2002070467-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2002-09-12 — — 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 (7 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-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT CYP19A1 3254/4885CA2 3921/4885CA1 4776/4885
US-20020165236-A1 Compounds for the treatment of protozoal diseases PKD2, PPOX, PKD1 CYP19A1 4474/4885CA2 2245/4885CA1 4304/4885
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT CYP19A1 3254/4885CA2 3921/4885CA1 4776/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT CYP19A1 3254/4885CA2 3921/4885CA1 4776/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT CYP19A1 3254/4885CA2 3921/4885CA1 4776/4885
US-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 CYP19A1 4721/4885CA2 12/4885CA1 680/4885
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM5, TRPM6 CYP19A1 3568/4885CA2 219/4885CA1 1034/4885

“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.