SCHEMBL4043283

SCHEMBL4043283

CC(C)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.74
CTSS P25774 5/20 0.56
HPGDS O60760 1/20 0.46
CCR1 P32246 1/20 0.43
CTSB P07858 1/20 0.42
CTSL P07711 3/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
HTR2A P28223 1/20 0.41
CTSV O60911 2/20 0.40

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
SCHEMBL4371118 1.00 CTSK (0.74) CTSKCTSSHPGDSCCR1CTSB
SCHEMBL4371113 1.00 CTSK (0.74) CTSKCTSSHPGDSCCR1CTSB
SCHEMBL5941876 1.00 CTSK (0.74) CTSKCTSSHPGDSCCR1CTSB
SCHEMBL4040950 0.94 CTSK (0.65) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4039921 0.92 CTSK (0.62) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4040840 0.92 CTSK (0.62) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4040202 0.92 CTSK (0.62) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4040647 0.91 CTSK (0.61) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4044263 0.90 CTSK (0.61) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4042616 0.90 CTSK (0.59) CTSKCTSSHPGDSCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CTSK 1880/4885CTSS 3389/4885HPGDS 1516/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CTSK 2460/4885CTSS 2896/4885HPGDS 2082/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885HPGDS 603/4885

“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.