SCHEMBL4037336

SCHEMBL4037336

CC(C)CC(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.56
CTSS P25774 2/20 0.43
PREP P48147 2/20 0.38
FAP Q12884 1/20 0.38
CCR1 P32246 1/20 0.36
PSMB5 P28074 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
CYP3A4 P08684 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NAMPT P43490 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
SCHEMBL4040987 0.93 CTSK (0.65) CTSKCTSSPREPFAPCCR1
SCHEMBL4041112 0.92 CTSK (0.46) CTSKCTSSPREPFAPCCR1
SCHEMBL4041900 0.92 CTSK (0.54) CTSKCTSSPREPFAPCCR1
SCHEMBL4042674 0.92 CTSK (0.51) CTSKCTSSPREPFAPCTSL
SCHEMBL4045315 0.91 CTSK (0.53) CTSKCTSSPREPFAPCCR1
SCHEMBL4040176 0.90 CTSK (0.52) CTSKCTSSPREPFAPCTSL
SCHEMBL4046916 0.90 CTSK (0.65) CTSKCTSSPREPFAPCCR1
SCHEMBL4042773 0.90 CTSK (0.55) CTSKCTSSPREPFAPCCR1
SCHEMBL4043775 0.89 CTSK (0.50) CTSKCTSSPREPFAPCCR1
SCHEMBL4041871 0.89 CTSK (0.51) CTSKCTSSPREPFAPCCR1

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-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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP 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
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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CTSK 1880/4885CTSS 3389/4885PREP 4243/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CTSK 2460/4885CTSS 2896/4885PREP 4829/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885PREP 1823/4885

“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.