SCHEMBL1945591

SCHEMBL1945591

CC(=O)NCC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
CYP3A4 P08684 4/20 0.58
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 2/20 0.58
ALOX15 P16050 1/20 0.58
CES1 P23141 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 8/20 0.56
ALOX12 P18054 1/20 0.56
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 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
Methane SCHEMBL11374227 0.98 MTNR1A (0.57) MTNR1AMTNR1BMEN1KMT2ACYP3A4
SCHEMBL7434935 0.89 SMN1; SMN2 (0.59) MTNR1AMTNR1BHPGDSMN1; SMN2MAPT
SCHEMBL28362501 0.86 L3MBTL1 (0.60) MTNR1AMTNR1BCYP3A4HPGDSMN1; SMN2
SCHEMBL7043060 0.84 ALDH1A1 (0.62) MEN1KMT2ACYP3A4HPGDSMN1; SMN2
SCHEMBL11216066 0.83 MEN1 (0.62) MEN1KMT2ACYP3A4HPGDSMN1; SMN2
SCHEMBL7436867 0.82 HSD17B3 (0.52) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL7444387 0.82 RAB9A (0.55) MEN1KMT2ACYP3A4SMN1; SMN2MAPT
SCHEMBL3231208 0.81 ALDH1A1 (0.68) MEN1KMT2ACYP3A4HPGDSMN1; SMN2
SCHEMBL3786992 0.80 GSK3B (0.53) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL7440297 0.80 KMT2A (0.54) MEN1KMT2ACYP3A4HPGDSMN1; 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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594606-A Asymmetric synthesis method of threo-2-hydroxy-3-acetamido-4-phenylcarbonyl butyric acid 成都傲科新技术有限责任公司(CN) 2023-01-13 CN claimed
CN-113801006-B Actetrophenone A compound and preparation and application thereof 烟台水禾土生物科技有限公司 2022-07-12 CN claimed
WO-2007042114-A1 PROCESS FOR THE OXIDATION OF ORGANIC SUBSTRATES BY MEANS OF SINGLET OXYGEN AT HIGH REACTION TEMPERATURES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-04-19 WO claimed
WO-2007039034-A1 PROCESS FOR PREPARING N-ACETYLAMINOACETOPHENONES AND DOWNSTREAM PRODUCTS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-04-12 WO claimed
EP-4584259-A1 CK1ALPHA AND DUAL CK1ALPHA / GSPT1 DEGRADING COMPOUNDS Innovo Therapeutics, Inc. (US) 2025-07-16 EP disclosed
WO-2025125561-A1 THIOESTER PHOTOINITIATORS ARKEMA FRANCE (FR) 2025-06-19 WO disclosed
US-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. 2024-05-16 US disclosed
WO-2024054832-A1 CK1α AND DUAL CK1α / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
CN-115594606-A Asymmetric synthesis method of threo-2-hydroxy-3-acetamido-4-phenylcarbonyl butyric acid 成都傲科新技术有限责任公司(CN) 2023-01-13 CN disclosed
CN-115594606-A Asymmetric synthesis method of threo-2-hydroxy-3-acetamido-4-phenylcarbonyl butyric acid 成都傲科新技术有限责任公司(CN) 2023-01-13 CN disclosed
CN-113173859-B Method for synthesizing chiral alpha-amino alcohol compound 温州大学 2022-08-19 CN disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed
US-4053469-A BACTERICIDES SHIONOGI & CO., LTD. (JA) 1977-10-11 US disclosed
US-3987039-A ANTIBACTERIAL SHIONOGI & CO., LTD. (JA) 1976-10-19 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 (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-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS CKS1B, CKS2, MARK1 MTNR1A 546/4885MTNR1B 1079/4885MEN1 789/4885
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 MTNR1A 3436/4885MTNR1B 2814/4885MEN1 410/4885

“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.