Sugi Predict

Sugi Predict / Compounds / SCHEMBL3676166

SCHEMBL3676166

SCHEMBL3676166

CC(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ ATM Q13315 1/20 0.63
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 2/20 0.60
▸ CTSL P07711 1/20 0.60
▸ CTSB P07858 1/20 0.60
▸ ACE P12821 1/20 0.57
▸ LMNA P02545 1/20 0.55
▸ KLK5 Q9Y337 2/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.54
▸ PPARA Q07869 2/20 0.52
▸ PPARG P37231 1/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ APP P05067 1/20 0.52

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
SCHEMBL12203694 1.00 NPC1 (0.63) NPC1RAB9AATMCTSSCTSK
SCHEMBL29401299 1.00 NPC1 (0.63) NPC1RAB9AATMCTSSCTSK
SCHEMBL3676162 1.00 NPC1 (0.63) NPC1RAB9AATMCTSSCTSK
Dimethylamine SCHEMBL1435916 0.97 ATM (0.60) NPC1RAB9AATMCTSSCTSK
SCHEMBL18569400 0.94 PPARA (0.60) NPC1RAB9AATMCTSSCTSK
SCHEMBL14884499 0.91 CTSS (0.65) NPC1RAB9AATMCTSSCTSK
SCHEMBL13823611 0.90 CTSS (0.57) NPC1RAB9AATMCTSSCTSK
SCHEMBL22962299 0.89 CTSS (0.70) ATMCTSSCTSKCTSLCTSB
SCHEMBL10135746 0.89 CTSS (0.70) ATMCTSSCTSKCTSLCTSB
SCHEMBL19930027 0.88 BCL2 (0.59) ATMCTSSACEPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 — — US claimed
EP-3753966-B1 AMPHIPHILIC BLOCK COPOLYMER, PREPARATION METHOD THEREOF AND NANOMICELLE DRUG-LOADING SYSTEM SHANGHAI BEST LINK BIOSCIENCE LLC (CN) 2022-05-25 — — EP disclosed
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 — — CN disclosed
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 — — US disclosed
EP-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 — — EP disclosed
WO-2021050992-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. (US) 2021-03-18 — — WO disclosed
EP-3753966-A1 AMPHIPHILIC BLOCK COPOLYMER, PREPARATION METHOD THEREOF AND NANOMICELLE DRUG-LOADING SYSTEM Selection Bioscience LLC (CN) 2020-12-23 — — EP disclosed
CN-111285850-A Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2020-06-16 — — CN disclosed
WO-2020114482-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND 中国科学院上海药物研究所 2020-06-11 — — WO disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 — — US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 — — US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 — — WO disclosed
EP-2270014-A1 Azepine inhibitors of janus kinases Incyte Corporation (US) 2011-01-05 — — EP disclosed
US-20100286124-A1 PROP-2-YN-1-AMINE INHIBITORS OF MONOAMINE OXIDASE TYPE B AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 — — US disclosed
WO-2007038215-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2007-04-05 — — WO disclosed
US-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 — — US disclosed
EP-0279213-A1 Fluorescence polarization immunoassay for amphetamine/methamphetamine ABBOTT LABORATORIES (US) 1988-08-24 — — EP 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 (5 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NPC1 3951/4885RAB9A 2364/4885ATM 540/4885
US-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRD1, OPRM1, OPRK1 NPC1 3280/4885RAB9A 3123/4885ATM 4776/4885
US-20100286124-A1 PROP-2-YN-1-AMINE INHIBITORS OF MONOAMINE OXIDASE TYPE B MAOB, MAOA, TYR NPC1 3866/4885RAB9A 3737/4885ATM 4325/4885
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 NPC1 2554/4885RAB9A 3171/4885ATM 2072/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NPC1 3951/4885RAB9A 2364/4885ATM 540/4885

“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.