SCHEMBL1100753

SCHEMBL1100753

CCCS(=O)(=O)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.51
CYP2C19 P33261 5/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 5/20 0.49
CYP2D6 P10635 2/20 0.49
FABP6 P51161 1/20 0.41
MASP2 O00187 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NUDT1 P36639 1/20 0.40
KMT2A Q03164 1/20 0.40
AOC3 Q16853 1/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL761154 0.89 CYP2C9 (0.64) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL1108960 0.84 CYP2C9 (0.52) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL3063016 0.81 CYP2C9 (0.47) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL10969202 0.80 FABP6 (0.47) FABP6MASP2MEN1ALDH1A1NUDT1
SCHEMBL6027004 0.77 ALDH1A1 (0.46) CYP2C9CYP2C19FABP6MASP2MEN1
SCHEMBL28209330 0.77 IRAK4 (0.53) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL12684800 0.75 LMNA (0.56) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL3500724 0.72 ATP4A (0.46) CYP1A2CYP2D6FABP6MASP2MEN1
SCHEMBL4704694 0.71 TAS2R14 (0.57) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL5679917 0.71 FABP6 (0.47) FABP6MASP2MEN1ALDH1A1NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118880330-A Copper etching solution for copper wiring process of packaging circuit substrate and preparation method and application thereof 浙江奥首材料科技有限公司 2024-11-01 CN claimed
CN-115128195-B LC-MS/MS detection method for pesticide and veterinary drug residues in animal oil and vegetable oil 北京市疾病预防控制中心 2022-11-15 CN claimed
CN-115128195-A LC-MS/MS detection method for pesticide and veterinary drug residues in animal oil and vegetable oil 北京市疾病预防控制中心 2022-09-30 CN claimed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US claimed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 US claimed
CN-118880330-A Copper etching solution for copper wiring process of packaging circuit substrate and preparation method and application thereof 浙江奥首材料科技有限公司 2024-11-01 CN disclosed
US-20240226160-A9 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-07-11 US disclosed
US-20240131072-A1 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-04-25 US disclosed
CN-117177989-A Activity-inducible fusion proteins with heat shock protein 90 binding domain 西雅图儿童医院以西雅图儿童研究机构名义经营 2023-12-05 CN disclosed
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS SEATTLE CHILDREN’S HOSPITAL DBA SEATTLE CHILDREN’S RES INSTITUTE (US) 2023-10-12 US disclosed
US-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents SEATTLE CHILDREN'S HOSPITAL (US) 2023-05-16 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US disclosed
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1773828-A1 HETEROCYCLE -SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 US disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 US disclosed
WO-2006010642-A1 HETEROCYCLE-SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 WO disclosed
EP-1621539-A1 Heterocycle -substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP 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 (7 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-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 CYP2C9 1736/4885CYP2C19 2857/4885CYP1A2 2569/4885
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 CYP2C9 708/4885CYP2C19 442/4885CYP1A2 803/4885
US-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents PHOSPHO1, LCAT, CD47 CYP2C9 4157/4885CYP2C19 4283/4885CYP1A2 4489/4885
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD CHP1, CMA1, CARHSP1 CYP2C9 2541/4885CYP2C19 3340/4885CYP1A2 2066/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB CYP2C9 3177/4885CYP2C19 3945/4885CYP1A2 3922/4885
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 CYP2C9 4157/4885CYP2C19 4283/4885CYP1A2 4489/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB CYP2C9 3236/4885CYP2C19 4001/4885CYP1A2 3771/4885

“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.