Sugi Predict

Sugi Predict / Compounds / SCHEMBL937622

SCHEMBL937622

SCHEMBL937622

COC(=O)C(CCBr)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.44
▸ CTSS P25774 7/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL2441956 1.00 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL17093839 1.00 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL27133818 0.92 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL16387553 0.92 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL13422140 0.92 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL31240143 0.89 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL16546620 0.89 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2063018 0.87 CYP1A2 (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2063020 0.87 CYP1A2 (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL24073146 0.86 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111163839-B Benzimidazolone-derived BCL6 inhibitors 癌症研究科技有限公司 2024-05-28 — — CN disclosed
CN-114920928-B Electrochromic molecule, preparation method and electrochromic device 吉林大学 2023-05-02 — — CN disclosed
CN-114920928-A Electrochromic molecule, preparation method and electrochromic device 吉林大学 2022-08-19 — — CN disclosed
CN-112955438-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2021-06-11 — — CN disclosed
EP-3511328-B1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2021-03-03 — — EP disclosed
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-09-03 — — US disclosed
WO-2020145627-A1 METHOD FOR PREPARING GLUFOSINATE 씨제이제일제당(주) 2020-07-16 — — WO disclosed
CN-111163839-A Benzimidazolone-derived BCL6 inhibitors 癌症研究科技有限公司 2020-05-15 — — CN disclosed
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2019-08-06 — — US disclosed
US-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-08-01 — — US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 — — US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 — — US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 — — EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 — — US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 — — US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 — — US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 — — EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 — — EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 — — WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 — — 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 (3 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-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CTSK 1729/4885CTSS 2061/4885CYP1A2 299/4885
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CTSK 1729/4885CTSS 2061/4885CYP1A2 299/4885
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections MGAM, MGAM2, BPGM CTSK 1729/4885CTSS 2061/4885CYP1A2 299/4885

“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.

Send feedback