Sugi Predict

Sugi Predict / Compounds / SCHEMBL2580865

SCHEMBL2580865

SCHEMBL2580865

CC(C)(C)OC(=O)NC(C)(C)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 8/20 0.45
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL244304 0.84 AAK1 (0.43) AAK1CTSBCTSSCTSKSMN1; SMN2
SCHEMBL15124834 0.84 AAK1 (0.43) AAK1CTSBCTSSCTSKSMN1; SMN2
SCHEMBL17018582 0.83 CYP2C19 (0.44) AAK1GAASMN1; SMN2MEN1KMT2A
SCHEMBL21580080 0.83 GAA (0.43) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL29717737 0.83 GAA (0.43) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL15124774 0.83 AAK1 (0.45) AAK1CTSBCTSSCTSKSMN1; SMN2
SCHEMBL31292829 0.83 AAK1 (0.46) AAK1CTSBCTSSCTSKGAA
SCHEMBL244890 0.83 AAK1 (0.45) AAK1CTSBCTSSCTSKSMN1; SMN2
SCHEMBL31292821 0.83 AAK1 (0.45) AAK1CTSBCTSSCTSKGAA
SCHEMBL3200118 0.82 GAA (0.42) GAASMN1; SMN2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 — — EP disclosed
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 — — EP disclosed
WO-2025024030-A2 MOLECULAR GLUES TARGETING A TRANSCRIPTIONAL REGULATOR OF ABERRANT METABOLIC STATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-30 — — WO disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 — — WO disclosed
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 — — US disclosed
EP-4326257-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS ChemoCentryx, Inc. (US) 2024-02-28 — — EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 — — US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 — — US disclosed
CN-115484948-A Compound and use thereof 福宏治疗公司 2022-12-16 — — CN disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 — — US disclosed
WO-2011137219-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) SCHERING CORPORATION (US) 2011-11-03 — — WO disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 — — US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 — — US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 — — EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US disclosed
EP-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 — — EP disclosed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 — — US disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 — — EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 — — 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 (4 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB AAK1 2928/4885CTSB 1402/4885CTSS 2010/4885
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG AAK1 345/4885CTSB 3929/4885CTSS 4691/4885
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B AAK1 2196/4885CTSB 589/4885CTSS 1250/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 AAK1 1365/4885CTSB 4714/4885CTSS 4481/4885

“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.