Sugi Predict

Sugi Predict / Compounds / SCHEMBL469706

SCHEMBL469706

SCHEMBL469706

CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 3/20 0.68
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48
▸ MLNR O43193 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CTSD P07339 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP3A5 P20815 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ RORC P51449 3/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 2/20 0.45

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
SCHEMBL1234685 1.00 SPPL2A (0.68) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1668736 1.00 SPPL2A (0.68) SPPL2APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL6420306 0.99 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4608269 0.99 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL746500 0.99 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL612336 0.99 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL1548334 0.99 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738224 0.94 SPPL2A (0.59) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738226 0.94 SPPL2A (0.59) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28738354 0.94 SPPL2A (0.59) SPPL2APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200724-A1 Sulphonamide chemical intermediate; aids inhibitor; crystal form ; N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)p-nitrobenzenesulfonamide NPIL PHARMACEUTICALS (UK) LTD (GB) 2008-08-21 — — US claimed
EP-1893565-A1 PROCESS AND COMPOUND NPIL Pharmaceuticals (UK) Ltd (GB) 2008-03-05 — — EP claimed
WO-2006131757-A1 PROCESS AND COMPOUND NPIL PHARMACEUTICALS (UK) LTD (GB) 2006-12-14 — — WO claimed
EP-1066276-B1 PROCESS FOR THE SYNTHESIS OF HIV PROTEASE INHIBITORS GLAXO GROUP LTD (GB) 2003-06-11 — — EP claimed
US-20260014174-A1 DUAL INHIBITORS FOR HDAC3 AND HIV-1 PR PURDUE RESEARCH FOUNDATION (US) 2026-01-15 — — US disclosed
CN-114230630-B Triptolide derivative and application thereof 郑州人民医院(郑州人民医院医疗管理中心) 2024-03-08 — — CN disclosed
CN-114230630-A Triptolide derivative and application thereof 郑州人民医院(郑州人民医院医疗管理中心) 2022-03-25 — — CN disclosed
CN-108558808-B Amide derivative or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国医学科学院医药生物技术研究所 2020-05-05 — — CN disclosed
US-9643976-B2 Solvates of darunavir AUROBINDO PHARMA LTD. (IN) 2017-05-09 — — US disclosed
US-9643976-B2 Solvates of darunavir AUROBINDO PHARMA LTD. (IN) 2017-05-09 — — US disclosed
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2016-12-08 — — US disclosed
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2016-12-08 — — US disclosed
WO-2011061590-A1 NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2011-05-26 — — WO disclosed
WO-2011017395-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-02-10 — — WO disclosed
WO-2010077317-A2 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. (US) 2010-07-08 — — WO disclosed
EP-2194038-A2 Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-P-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines Ampac Fine Chemicals LLC (US) 2010-06-09 — — EP disclosed
US-20080200724-A1 Sulphonamide chemical intermediate; aids inhibitor; crystal form ; N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)p-nitrobenzenesulfonamide NPIL PHARMACEUTICALS (UK) LTD (GB) 2008-08-21 — — US disclosed
EP-1944300-A2 Prodrugs of aspartyl protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-07-16 — — EP disclosed
EP-1893565-A1 PROCESS AND COMPOUND NPIL Pharmaceuticals (UK) Ltd (GB) 2008-03-05 — — EP disclosed
WO-2006131757-A1 PROCESS AND COMPOUND NPIL PHARMACEUTICALS (UK) LTD (GB) 2006-12-14 — — 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 (3 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-20080200724-A1 Sulphonamide chemical intermediate; aids inhibitor; crystal form ; N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)p-nitrobenzenesulfonamide SPR, SULT1E1, SAMHD1 SPPL2A 2930/4885PSEN1 1540/4885PSEN2 1726/4885
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, CYP3A5, DARS1 SPPL2A 4665/4885PSEN1 3308/4885PSEN2 3664/4885
US-20260014174-A1 DUAL INHIBITORS FOR HDAC3 AND HIV-1 PR HDAC3, HDAC1, HDAC11 SPPL2A 4290/4885PSEN1 607/4885PSEN2 1647/4885

“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.