Sugi Predict

Sugi Predict / Compounds / SCHEMBL2364801

SCHEMBL2364801

SCHEMBL2364801

CC(C)(C)OC(=O)NC(=S)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ BTK Q06187 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 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
SCHEMBL5725277 0.85 POLB (0.42) GAABTKTSHRGABRPGABRD
SCHEMBL29041468 0.82 SMN1; SMN2 (0.40) GAABTKTSHRGABRPGABRD
SCHEMBL5817988 0.77 GNAI3 (0.39) GAATSHRGABRPGABRDGABRA1
SCHEMBL27914275 0.75 BTK (0.38) GAABTKTSHRGABRPGABRD
SCHEMBL39955 0.74 TSHR (0.46) BTKTSHRGABRPGABRDGABRA1
SCHEMBL27799448 0.74 KMT2A (0.45) GAABTKTSHRGABRPGABRD
SCHEMBL24124724 0.74 EPHX1 (0.43) GAABTKGABRA1GABRA5GABRB2
SCHEMBL56856 0.74 EPHX1 (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL13419014 0.73 GNAI3 (0.52) GAATSHRCA1CA2MEN1
SCHEMBL27810859 0.73 KMT2A (0.36) GAABTKTSHRNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662280-B Piperidinyl tetrahydrobenzothiazole oxime ether derivative and application thereof 南开大学 2023-03-03 — — CN disclosed
CN-108864075-B Isothiazole bithiazole derivative and preparation method and application thereof 南开大学 2021-06-01 — — CN disclosed
CN-111662280-A Piperidinyl tetrahydrobenzothiazole oxime ether derivative and application thereof 南开大学 2020-09-15 — — CN disclosed
EP-2358709-A2 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. du Pont de Nemours and Company (US) 2011-08-24 — — EP disclosed
EP-2260032-A2 FUNGICIDAL HETERCYCLIC COMPOUNDS E. I. du Pont de Nemours and Company (US) 2010-12-15 — — EP disclosed
WO-2010065579-A2 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 — — WO disclosed
WO-2009094445-A2 FUNGICIDAL HETERCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 — — WO disclosed
US-7087623-B2 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2006-08-08 — — US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 — — US disclosed
US-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof CUNY GREGORY D (US) 2004-11-25 — — US disclosed
US-6699866-B2 FOR THERAPY OF ADDICTION, ANXIETY, DEPRESSION, SEXUAL DYSFUNCTION, HYPERTENSION, MIGRAINE, ALZHEIMER'S DISEASE, OBESITY, EMESIS, PSYCHOSIS, ANALGESIA, SCHIZOPHRENIA, PARKINSON'S DISEASE, RESTLESS LEG SYNDROME, SLEEPING DISORDERS SEPRACOR INC. 2004-03-02 — — US disclosed
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-06-05 — — US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 — — EP disclosed
WO-2002083863-A2 THIAZOLE AND OTHER HETEROCYCLIC LIGANDS AND USE THEREOF SEPRACOR, INC. (US) 2002-10-24 — — WO disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 — — WO disclosed
WO-2000027790-A1 MUTILIN COMPOUNDS SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 — — WO disclosed
WO-1998046599-A1 NOVEL CARBOXAMIDES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1998-10-22 — — 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 GAA 2036/4885BTK 2456/4885TSHR 3997/4885
US-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C GAA 1052/4885BTK 1479/4885TSHR 117/4885
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C GAA 1052/4885BTK 1479/4885TSHR 117/4885

“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.