SCHEMBL2589116

SCHEMBL2589116

O=C(N[C@H](COCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.59
MDM4 O15151 2/20 0.55
TP53 P04637 2/20 0.55
PPARA Q07869 2/20 0.53
FOLH1 Q04609 1/20 0.51
TLR2 O60603 2/20 0.50
CASP3 P42574 2/20 0.50
KMT2A Q03164 1/20 0.50
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
SLC17A5 Q9NRA2 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
PPARG P37231 1/20 0.48

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
SCHEMBL29401900 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL31186620 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL29398946 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL120685 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL3366333 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL30861891 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL30844644 0.92 HDAC1 (0.52) TNFMDM4TP53TLR2CASP3
SCHEMBL8892048 0.92 MDM4 (0.60) TNFMDM4TP53TLR2CASP3
SCHEMBL28812447 0.91 MDM2 (0.56) TNFMDM4TP53PPARATLR2
SCHEMBL28812446 0.91 MDM2 (0.56) TNFMDM4TP53PPARATLR2

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 42 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
EP-3122743-B1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2022-11-09 EP 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
WO-2007109615-A2 β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
US-7268125-B2 β-lactamyl vasopressin V1a antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
WO-2007011878-A2 BETA-LACTAMYL PHENYLALANINE, CYSTEINE, AND SERINE VASOPRESSIN ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2007-01-25 WO 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
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO disclosed
WO-2006102283-A2 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO 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
US-6372883-B1 FOR THERAPY AND PROPHYLAXIS OF INFECTIONS CAUSED BY HEPATITIS C, HEPATITIS G AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2002-04-16 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 (9 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 TNF 1624/4885MDM4 3369/4885TP53 3579/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B TNF 3561/4885MDM4 4610/4885TP53 2365/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN TNF 2817/4885MDM4 4348/4885TP53 4873/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B TNF 4347/4885MDM4 4758/4885TP53 4058/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT TNF 1624/4885MDM4 3369/4885TP53 3579/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B TNF 3561/4885MDM4 4610/4885TP53 2365/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B TNF 3561/4885MDM4 4610/4885TP53 2365/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B TNF 3561/4885MDM4 4610/4885TP53 2365/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT TNF 1624/4885MDM4 3369/4885TP53 3579/4885

“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.