Trepibutone

Trepibutone

SCHEMBL25039

CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HSD17B10 Q99714 3/20 0.51
▸ HTT P42858 2/20 0.46
▸ CYP2C19 P33261 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GLA P06280 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TNFRSF1A P19438 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
Trepibutone SCHEMBL29441541 1.00 TSHR (0.61) TSHRCYP3A4HSD17B10HTTCYP2C19
SCHEMBL11683269 0.92 TSHR (0.51) TSHRCYP3A4HSD17B10HTTCYP2C19
SCHEMBL11684059 0.87 HMGCR (0.51) TSHRCYP3A4HSD17B10HTTCYP2C19
SCHEMBL4264883 0.87 KMT2A (0.53) TSHRCYP3A4HSD17B10HTTCYP2C19
SCHEMBL24651214 0.86 TSHR (0.65) TSHRCYP3A4HSD17B10CYP2C19KDM4E
SCHEMBL24651215 0.83 TSHR (0.43) TSHRCYP3A4HSD17B10HTTCYP2C19
Trepibutone SCHEMBL13725387 0.79 ALDH1A1 (0.45) TSHRCYP3A4HSD17B10HTTCYP2C19
SCHEMBL31113388 0.79 HTT (0.53) CYP3A4HSD17B10HTTCYP2C19MEN1
SCHEMBL11684821 0.79 TSHR (0.65) TSHRCYP3A4HSD17B10MEN1KMT2A
SCHEMBL24651298 0.79 TSHR (0.51) TSHRCYP3A4HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111413431-B Method for screening metabolic markers of drug-induced acute kidney injury lesion process 中国药科大学 2022-03-01 — — CN claimed
US-11136342-B2 Carbonate prodrugs and methods of using the same ACORDA THERAPEUTICS, INC. (US) 2021-10-05 — — US claimed
US-11065205-B2 Immediate/delayed drug delivery DRUG DELIVERY INTERNATIONAL LIMITED (GB) 2021-07-20 — — US claimed
WO-2020218950-A1 COMBINATION FOR TREATING FUNCTIONAL DISEASES OF THE GASTROINTESTINAL TRACT ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" 2020-10-29 — — WO claimed
CN-111426766-A Construction and evaluation method of drug-induced acute kidney injury mouse model 中国药科大学 2020-07-17 — — CN claimed
CN-111413431-A Method for screening metabolic markers of drug-induced acute kidney injury lesion process 中国药科大学 2020-07-14 — — CN claimed
US-20200157126-A1 CARBONATE PRODRUGS AND METHODS OF USING THE SAME ACORDA THERAPEUTICS, INC. 2020-05-21 — — US claimed
US-20190125679-A1 IMMEDIATE/DELAYED DRUG DELIVERY UNIVERSITY OF STRATHCLYDE (GB) 2019-05-02 — — US claimed
EP-3373943-A1 CONTROL OF CELLULAR REDOX LEVELS Mckenna, Elizabeth (US) 2018-09-19 — — EP claimed
CN-108430482-A Control of cellular redox levels 伊丽莎白·麦克纳 2018-08-21 — — CN claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 — — US claimed
WO-2006102029-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV PHARMACEUTICAL INC (US) 2006-12-07 — — WO claimed
WO-2006102029-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV PHARMACEUTICAL, INC. (US) 2006-09-28 — — WO claimed
CN-1628698-A Medicine for treating cholecystitis and biliary tract disease and its preparation method YU FENG (CN) 2005-06-22 — — CN claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 — — CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 — — EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 — — WO claimed
US-5811547-A Method for inducing crystalline state transition in medicinal substance NIPPON SHINYAJU CO., LTD. (JP) 1998-09-22 — — US claimed
WO-1998022114-A1 A METHOD FOR PROMOTING TISSUE REPAIR DUMEX-ALPHARMA A/S (DK) 1998-05-28 — — WO claimed
US-3943169-A DIURETIC, SPASMOLYTIC TAKEDA CHEMICAL INDUSTRIES, LTD (JA) 1976-03-09 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200157126-A1 CARBONATE PRODRUGS AND METHODS OF USING THE SAME CA6, CA7, CA4 TSHR 3093/4885CYP3A4 135/4885HSD17B10 702/4885
US-11136342-B2 Carbonate prodrugs and methods of using the same CA6, CA7, CA4 TSHR 3093/4885CYP3A4 135/4885HSD17B10 702/4885

“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.

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