SCHEMBL6543239

SCHEMBL6543239

O=C(NC(CCI)C(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
PPARG P37231 1/20 0.54
CTSK P43235 3/20 0.53
TACR1 P25103 2/20 0.53
FOLH1 Q04609 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
CTRB1 P17538 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
CASP1 P29466 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL5321705 1.00 PPARA (0.54) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL22144256 0.91 CTSK (0.53) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL17860731 0.91 CTSK (0.53) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL15055671 0.89 KYNU (0.60) CTSKTACR1SIRT2SIRT1CTRB1
SCHEMBL15055673 0.89 KYNU (0.60) CTSKTACR1SIRT2SIRT1CTRB1
SCHEMBL18248139 0.88 PPARA (0.56) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL17685903 0.88 PPARA (0.56) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL8387978 0.88 FOLH1 (0.65) PPARAPPARGCTSKFOLH1SIRT2
SCHEMBL10421088 0.88 FOLH1 (0.62) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL1701581 0.87 CTSL (0.65) PPARAPPARGCTSKCTSLCTSB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110857286-B Preparation method of micromolecule yNA with biological activity 上海交通大学 2022-12-09 CN claimed
CN-110857286-A Preparation method of micromolecule yNA with biological activity 上海交通大学 2020-03-03 CN claimed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
US-20220046923-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 US disclosed
EP-3898594-A1 HERBICIDAL CINNOLINIUM COMPOUNDS Syngenta Crop Protection AG (CH) 2021-10-27 EP disclosed
CN-113195455-A Herbicidal cinnolinium compounds 先正达农作物保护股份公司 2021-07-30 CN disclosed
WO-2020127168-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 WO disclosed
EP-1268469-B1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-6680329-B2 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-SYNTHELABO (FR) 2004-01-20 US disclosed
US-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-AVENTIS (FR) 2003-11-06 US disclosed
EP-1268469-A1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI-SYNTHELABO (FR) 2003-01-02 EP disclosed
WO-2001070736-A1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI-SYNTHELABO (FR) 2001-09-27 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 PPARA 3131/4885PPARG 3427/4885CTSK 850/4885
US-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants PROC, VKORC1, SERPINC1 PPARA 2671/4885PPARG 1758/4885CTSK 3537/4885
US-20220046923-A1 HERBICIDAL CINNOLINIUM COMPOUNDS DDT, DERL1, CES2 PPARA 1050/4885PPARG 772/4885CTSK 1850/4885

“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.