SCHEMBL4039384

SCHEMBL4039384

CC(C)CC(N)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.56
HPGDS O60760 2/20 0.45
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.40
CHRNA7 P36544 5/20 0.39
HTR3E A5X5Y0 4/20 0.39
HTR3B O95264 4/20 0.39
HTR3A P46098 4/20 0.39
HTR3D Q70Z44 4/20 0.39
HTR3C Q8WXA8 4/20 0.39
ACKR3 P25106 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
CCR1 P32246 1/20 0.37

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
SCHEMBL4041554 0.95 CTSK (0.55) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4039928 0.94 CTSK (0.54) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4043610 0.94 CTSK (0.53) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4046731 0.93 CTSK (0.56) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4045241 0.93 CTSK (0.55) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4042777 0.92 CTSK (0.57) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4040231 0.92 CTSK (0.56) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4042686 0.91 CTSK (0.58) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4043010 0.91 CTSK (0.55) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4045405 0.90 CTSK (0.53) CTSKHPGDSCTSSCTSBCHRNA7

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
EP-1343807-B1 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORP (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-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP claimed
EP-1341769-B1 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2007-10-17 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-0161769-B1 ENKEPHALINASE INHIBITORS E.R. Squibb & Sons, Inc. (US) 1987-10-28 EP claimed
EP-2540164-A1 Active agent combinations with insecticide properties Bayer CropScience AG (DE) 2013-01-02 EP disclosed
EP-1686859-B1 COMBINATION OF ACTIVE SUBSTANCES WITH INSECTICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2012-08-01 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1982594-A1 Active agent combinations with insecticidal and acaricidal properties Bayer CropScience AG (DE) 2008-10-22 EP disclosed
EP-1974607-A2 Selective insecticides based on anthranilic acid diamides and safeners Bayer CropScience AG (DE) 2008-10-01 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885HPGDS 603/4885CTSS 3/4885

“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.