SCHEMBL4042595

SCHEMBL4042595

CC(C)CC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.57
CTSS P25774 1/20 0.43
ACE P12821 2/20 0.42
GPR132 Q9UNW8 1/20 0.41
CTSL P07711 1/20 0.40
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
MMP13 P45452 1/20 0.38
HTRA1 Q92743 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL4044197 0.93 CTSK (0.63) CTSKCTSSACECTSLCCR1
SCHEMBL4046945 0.93 CTSK (0.55) CTSKCTSSPOLBALDH1A1CHRNB2
SCHEMBL4042871 0.92 CTSK (0.48) CTSKACEGPR132CCR1MMP13
SCHEMBL4046951 0.91 CTSK (0.47) CTSKCTSSACEGPR132CTSL
SCHEMBL4043949 0.91 CTSK (0.53) CTSKCTSSACEGPR132POLB
SCHEMBL4042794 0.90 CTSK (0.57) CTSKCTSSACECCR1MMP13
SCHEMBL4042601 0.90 CTSK (0.54) CTSKCTSSACEGPR132CTSL
SCHEMBL4047037 0.90 CTSK (0.56) CTSKCTSSACEPOLBCCR1
SCHEMBL4041333 0.89 CTSK (0.69) CTSKCTSSACEALDH1A1
SCHEMBL4039907 0.88 CTSK (0.59) CTSKCTSSACEGPR132

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 7 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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP 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 (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 2/4885CTSS 3/4885ACE 3804/4885

“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.