SCHEMBL4044537

SCHEMBL4044537

CCCC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
KDM1A O60341 1/20 0.38
CTSS P25774 4/20 0.38
CTSL P07711 3/20 0.38
HSD17B10 Q99714 1/20 0.37
AHR P35869 1/20 0.37
UBE2N P61088 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GFER P55789 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ADRB1 P08588 1/20 0.35
ATM Q13315 1/20 0.35
CTSV O60911 2/20 0.35
CTSB P07858 2/20 0.35
MAPT P10636 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL3951606 0.92 CTSK (0.49) CTSKKDM1ACTSSCTSLHSD17B10
SCHEMBL4040654 0.90 CTSK (0.41) CTSKKDM1ACTSSCTSLAHR
SCHEMBL4043324 0.90 CTSK (0.40) CTSKKDM1ACTSSCTSLUBE2N
SCHEMBL4045971 0.90 CTSK (0.43) CTSKCTSSCTSLHSD17B10GFER
SCHEMBL4040494 0.90 CTSK (0.39) CTSKKDM1AAHRUBE2NTDP1
SCHEMBL4044478 0.89 CTSK (0.42) CTSKCTSSCTSLHSD17B10
SCHEMBL4038738 0.89 CTSK (0.48) CTSKCTSSCTSL
SCHEMBL4044361 0.88 CTSK (0.44) CTSKCTSSCTSLHSD17B10ELOVL6
SCHEMBL4040210 0.88 CTSK (0.53) CTSKCTSSCTSLHSD17B10KMT2A
SCHEMBL4041298 0.88 CTSK (0.54) CTSKCTSSCTSLHSD17B10GFER

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 6 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
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 2/4885KDM1A 3980/4885CTSS 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.