Sugi Predict

Sugi Predict / Compounds / SCHEMBL2438588

SCHEMBL2438588

SCHEMBL2438588

O=C(O)N[C@@H](Cc1ccccc1)[C@H]1CO1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ CTRB1 P17538 2/20 0.40
▸ ALPI P09923 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3508763 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL21979446 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL2437801 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL495878 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL5930119 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL23092514 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL3169175 0.88 SLC7A5 (0.42) KMT2ASLC7A5L3MBTL1
SCHEMBL13536230 0.88 CTRB1 (0.51) NPC1RAB9AKMT2ACTRB1L3MBTL1
SCHEMBL13536301 0.88 NPC1 (0.41) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL12195833 0.88 NPC1 (0.41) NPC1RAB9ACYP1A2KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845724-B2 USP30 inhibitors and uses thereof VINCERE BIOSCIENCES, INC. (US) 2023-12-19 — — US disclosed
US-20220315531-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2022-10-06 — — US disclosed
EP-4028385-A1 USP30 INHIBITORS AND USES THEREOF Vincere Biosciences, Inc. (US) 2022-07-20 — — EP disclosed
US-11230550-B2 Macrocyclic HIV-1 protease inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2022-01-25 — — US disclosed
WO-2021050992-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. (US) 2021-03-18 — — WO disclosed
US-20200165264-A1 MACROCYCLIC HIV-1 PROTEASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2020-05-28 — — US disclosed
US-9096541-B2 Inhibition of memapsin 1 cleavage in the treatment of diabetes OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2015-08-04 — — US disclosed
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 — — US disclosed
US-8592487-B2 Deuterated darunavir CONCERT PHARMACEUTICALS, INC. (US) 2013-11-26 — — US disclosed
WO-2013148130-A1 INHIBITION OF MEMAPSIN 1 CLEAVAGE IN THE TREATMENT OF DIABETES OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2013-10-03 — — WO disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 — — EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 — — WO disclosed
US-20040039016-A1 HIV protease inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-26 — — US disclosed
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 — — EP disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 — — US disclosed
US-5977388-A Compounds useful for preparing an α,α'-diaminoalcohol HOFFMANN-LA ROCHE INC. (US) 1999-11-02 — — US disclosed
US-5965733-A PRODRUG FOR PRODUCING 2-(3(S)-AMINO-2(R)-HYDROXY-4-PHENYL-BUTYL)-N-TERT.BUTYL-DECAHY DRO-(4AS,8AS)-ISOQUINOLINE-3(S)-CARBOXAMIDE FOR TREATING INFECTIONS CAUSED BY HUMAN IMMUNODIFICIENCY VIRUS(HIV) HOFFMANN-LA ROCHE INC. (US) 1999-10-12 — — US disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 — — EP disclosed
US-5591885-A REACTING DIESTER WITH ALKYLLITHIUM AND ORGANOCHLOROSILANE; HALOMETHYLATION HOFFMAN-LA ROCHE INC. (US) 1997-01-07 — — US disclosed
US-5492910-A AIDS TREATMENT BRISTOL-MYERS SQUIBB CO. (US) 1996-02-20 — — US 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 (6 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-20040039016-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP NPC1 739/4885RAB9A 2403/4885CYP1A2 2593/4885
US-20200165264-A1 MACROCYCLIC HIV-1 PROTEASE INHIBITORS AND USES THEREOF SERPINB1, CTRL, CTSC NPC1 86/4885RAB9A 2402/4885CYP1A2 817/4885
US-11230550-B2 Macrocyclic HIV-1 protease inhibitors and uses thereof SERPINB1, CTRL, CTSC NPC1 86/4885RAB9A 2402/4885CYP1A2 817/4885
US-11845724-B2 USP30 inhibitors and uses thereof USP30, USP28, USP1 NPC1 1369/4885RAB9A 2531/4885CYP1A2 3724/4885
US-20220315531-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 NPC1 1369/4885RAB9A 2531/4885CYP1A2 3724/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP NPC1 569/4885RAB9A 2012/4885CYP1A2 2459/4885

“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.