SCHEMBL2776839

SCHEMBL2776839

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
SCHEMBL42878 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
US-10953001-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS INC (US) 2020-09-03 US disclosed
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
US-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS INC (US) 2019-04-04 US disclosed
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AZEVAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-7119083-B2 β-Lactamyl vasopressin V1a Antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
WO-2005035492-A1 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS SERENIX PHARMACEUTICALS, LLC. (US) 2005-04-21 WO disclosed
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AZEVAN PHARMACEUTICALS, INC. 2004-12-30 US disclosed
EP-1434763-A2 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS Serenix Pharmaceuticals, LLC (US) 2004-07-07 EP disclosed
WO-2003031407-A2 β-LACTAMYL VASOPRESSIN VlaANTAGONISTS SERENIX PHARMACEUTICALS, LLC (US) 2003-04-17 WO disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed
US-4426324-A Immunopotentiating peptides HOFFMANN-LA ROCHE INC. (US) 1984-01-17 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 (12 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT CTSK 89/4885CTSS 150/4885CTSL 906/4885
US-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN CTSK 636/4885CTSS 568/4885CTSL 2467/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B CTSK 609/4885CTSS 505/4885CTSL 1667/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B CTSK 2623/4885CTSS 2905/4885CTSL 1804/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN CTSK 636/4885CTSS 568/4885CTSL 2467/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B CTSK 2696/4885CTSS 2921/4885CTSL 2058/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT CTSK 89/4885CTSS 150/4885CTSL 906/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B CTSK 609/4885CTSS 505/4885CTSL 1667/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B CTSK 609/4885CTSS 505/4885CTSL 1667/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B CTSK 609/4885CTSS 505/4885CTSL 1667/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT CTSK 89/4885CTSS 150/4885CTSL 906/4885
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AVPR1A, AVPR2, AVPR1B CTSK 2812/4885CTSS 2956/4885CTSL 2246/4885

“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.