SCHEMBL2777679

SCHEMBL2777679

C[C@](CCC(=O)O)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.51
CTSS P25774 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TACR1 P25103 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL1398933 1.00 HTT (0.52) HTTNAALAD2CTSSMEN1KMT2A
SCHEMBL1398932 1.00 HTT (0.52) HTTNAALAD2CTSSMEN1KMT2A
SCHEMBL2963801 0.87 CTSS (0.52) HTTCTSSMEN1KMT2AITGB3
SCHEMBL3584842 0.87 CTSS (0.52) HTTCTSSMEN1KMT2AITGB3
SCHEMBL6707580 0.87 CTSS (0.47) HTTCTSSMEN1KMT2AITGB3
SCHEMBL27517608 0.87 MEN1 (0.49) HTTCTSSMEN1KMT2AITGB3
SCHEMBL9087628 0.86 HTT (0.52) HTTCTSSMEN1KMT2ASMN1; SMN2
SCHEMBL2777369 0.86 HTT (0.52) HTTCTSSMEN1KMT2ASMN1; SMN2
SCHEMBL1198965 0.86 CTSS (0.53) HTTCTSSMEN1KMT2AITGB3
SCHEMBL8700050 0.86 HTT (0.55) HTTCTSSMEN1KMT2ASMN1; SMN2

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 26 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-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
US-9376424-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2016-06-28 US disclosed
US-20130109666-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS, INC. (US) 2013-05-02 US disclosed
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS, INC. 2009-07-02 US disclosed
WO-2008034032-A2 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS AZEVAN PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-1868434-A2 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS Azevan Pharmaceuticals, Inc. (US) 2007-12-26 EP disclosed
WO-2007109615-A2 β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
WO-2006102283-A2 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO disclosed
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 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 (13 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 HTT 1042/4885NAALAD2 1577/4885CTSS 150/4885
US-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN HTT 1298/4885NAALAD2 1522/4885CTSS 568/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B HTT 1/4885NAALAD2 1963/4885CTSS 505/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN HTT 1298/4885NAALAD2 1522/4885CTSS 568/4885
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 HTT 2636/4885NAALAD2 217/4885CTSS 2582/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT HTT 1042/4885NAALAD2 1577/4885CTSS 150/4885
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS GABBR1, GABBR2, ALAD HTT 3768/4885NAALAD2 166/4885CTSS 2586/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B HTT 1/4885NAALAD2 1963/4885CTSS 505/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B HTT 1/4885NAALAD2 1963/4885CTSS 505/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B HTT 1/4885NAALAD2 1963/4885CTSS 505/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT HTT 1042/4885NAALAD2 1577/4885CTSS 150/4885
US-20130109666-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN HTT 1298/4885NAALAD2 1522/4885CTSS 568/4885
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN HTT 1298/4885NAALAD2 1522/4885CTSS 568/4885

“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.