SCHEMBL42878

SCHEMBL42878

CC(C)(C)C(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.55
CTSS P25774 6/20 0.54
CTSL P07711 5/20 0.54
CTSB P07858 3/20 0.54
PPARA Q07869 3/20 0.53
PPARG P37231 1/20 0.53
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL27857330 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBPPARA
SCHEMBL2776839 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBPPARA
SCHEMBL29631961 0.91 CTSK (0.52) CTSKCTSSCTSLCTSBPPARA
SCHEMBL11049954 0.90 CASP3 (0.54) CTSKCTSSCTSLCTSB
SCHEMBL10974738 0.89 ITGB3 (0.51) CTSKCTSSCTSLCTSBPPARA
SCHEMBL10974734 0.89 CTSK (0.53) CTSKCTSSCTSLCTSBITGB3
SCHEMBL10929707 0.89 CTSK (0.60) CTSKCTSSCTSLCTSB
SCHEMBL10933510 0.88 ALDH1A1 (0.50) CTSKCTSSCTSLCTSBPPARA
SCHEMBL375882 0.86 CTSS (0.56) CTSKCTSSCTSLCTSBPPARA
SCHEMBL10932889 0.85 CTSK (0.49) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 EP disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 WO disclosed
EP-1434763-B1 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS AZEVAN PHARMACEUTICALS INC (US) 2018-01-17 EP disclosed
CN-102365294-B The dipeptide analogue of neurotrophic factor NGF and BDNF UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUKNAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2016-02-17 CN disclosed
EP-2587919-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER Azevan Pharmaceuticals, Inc. (US) 2013-05-08 EP disclosed
CN-102365294-A Dipeptide mimetics of ngf and bdnf neurotrophins UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK 2012-02-29 CN disclosed
WO-2012003436-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed
US-5317021-A Analgesics, anticonvulsants ONO PHARMACEUTICAL CO., LTD. (JP) 1994-05-31 US disclosed
US-5202340-A Analgesics, anticonvulsants, anxiolytic agents, inhibitors for enkephalinases ONO PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
US-5017589-A Analgesic, antianxiety, anticonvulsant ONO PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0341081-A2 Novel amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1989-11-08 EP disclosed
US-4552975-A Manufacturing process for N-carbobenzyloxy-L-glutamic acid-α-cholinester salt MORINGA MILK INDUSTRY, CO., LTD. (JP) 1985-11-12 US disclosed
US-4426324-A Immunopotentiating peptides HOFFMANN-LA ROCHE INC. (US) 1984-01-17 US disclosed
EP-0026464-A2 Peptides, their production, their use, and pharmaceutical preparations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-08 EP disclosed
US-RE30473-E ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1981-01-06 US disclosed
US-4105852-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1978-08-08 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 (1 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-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B CTSK 609/4885CTSS 505/4885CTSL 1667/4885

“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.