SCHEMBL4045236

SCHEMBL4045236

CCCC(NC(=O)c1ccc(C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.47
ACE P12821 2/20 0.39
GPR132 Q9UNW8 3/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTRA1 Q92743 1/20 0.37
CCR1 P32246 2/20 0.37
PREP P48147 2/20 0.36
FAP Q12884 2/20 0.36
MMP13 P45452 1/20 0.36
PTAFR P25105 2/20 0.36
C3AR1 Q16581 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
SCHEMBL4037490 0.92 CTSK (0.48) CTSKACEGPR132ALDH1A1HTRA1
SCHEMBL4037811 0.92 CTSK (0.57) CTSKACEGPR132ALDH1A1HTRA1
SCHEMBL4039065 0.92 CTSK (0.57) CTSKACEGPR132HTRA1CCR1
SCHEMBL4039388 0.92 CTSK (0.45) CTSKGPR132PTAFR
SCHEMBL4039803 0.92 CTSK (0.49) CTSKACEGPR132
SCHEMBL4042794 0.92 CTSK (0.57) CTSKACEALDH1A1KDM4EHTRA1
SCHEMBL4038144 0.91 CTSK (0.45) CTSKACEGPR132HTRA1CCR1
SCHEMBL4042871 0.90 CTSK (0.48) CTSKACEGPR132HTRA1CCR1
SCHEMBL4039211 0.90 CTSK (0.48) CTSK
SCHEMBL4043614 0.90 CTSK (0.44) CTSKACEGPR132ALDH1A1HTRA1

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 3 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

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 2/4885ACE 3804/4885GPR132 844/4885

“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.