SCHEMBL3947909

SCHEMBL3947909

CCCC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
HPGDS O60760 1/20 0.37
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
HTR2A P28223 2/20 0.36
HDAC1 Q13547 4/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GPR132 Q9UNW8 3/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
ACE P12821 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL4042901 0.93 CTSK (0.47) CTSKHPGDSHDAC1CTSBCTSS
SCHEMBL4041209 0.91 HPGDS (0.39) CTSKHPGDSDRD2DRD4HTR2A
SCHEMBL4043646 0.91 CTSS (0.38) CTSKHPGDSDRD2DRD4HTR2A
SCHEMBL4042303 0.90 CTSK (0.40) CTSKHPGDSDRD2DRD4HTR2A
SCHEMBL4040649 0.89 CTSK (0.42) CTSKGPR132SMYD3ACE
SCHEMBL4039054 0.89 CTSK (0.40) CTSKHPGDSDRD2DRD4HTR2A
SCHEMBL4038224 0.89 CTSK (0.44) CTSKGPR132SMYD3ACE
SCHEMBL4041827 0.88 CTSK (0.43) CTSKGPR132SMYD3ACE
SCHEMBL4045831 0.88 CTSK (0.51) CTSKGPR132CTSSSMYD3ACE
SCHEMBL4039160 0.87 CTSK (0.40) CTSKHPGDSDRD2DRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551403-B1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARM INC (US) 2009-04-29 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 EP claimed
US-20060167270-A1 5-substituted 2h-pyrazone-3-carbixylic acid derivatives as antilipolytic agents for the treatment of metabolic-related disorders such as dyslipidemia ARENA PHARMACEUTICALS INC. (US) 2006-07-27 US claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP claimed
EP-1551403-A1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA Arena Pharmaceuticals, Inc. (US) 2005-07-13 EP claimed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO claimed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US claimed
WO-2004032928-A1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO claimed
US-7589084-B2 Anticancer compositions, and methods of making and using the same NIIKI PHARMA, INC. (US) 2009-09-15 US disclosed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
EP-1551403-B1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARM INC (US) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-7485659-B2 Anticancer compositions, and methods of making and using the same FAUSTUS FORSCHUNGS CIE, TRANSLATIONAL CANCER RESEARCH GMBH (DE) 2009-02-03 US disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US disclosed
WO-2004032928-A1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060167270-A1 5-substituted 2h-pyrazone-3-carbixylic acid derivatives as antilipolytic agents for the treatment of metabolic-related disorders such as dyslipidemia ACE, ACE2, AGTR2 CTSK 1351/4885HPGDS 525/4885DRD2 3690/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885HPGDS 603/4885DRD2 4001/4885
US-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A CTSK 3964/4885HPGDS 4045/4885DRD2 897/4885

“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.