SCHEMBL4037195

SCHEMBL4037195

CCC(C)CC(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N(CC)CC)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.63
CTSS P25774 3/20 0.42
CCR1 P32246 1/20 0.37
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
CNR2 P34972 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 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
SCHEMBL4040409 0.93 CTSK (0.73) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4220910 0.93 CTSK (0.73) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4220905 0.93 CTSK (0.73) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5942191 0.93 CTSK (0.73) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4043712 0.89 CTSK (0.66) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4041406 0.89 CTSK (0.64) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4046650 0.89 CTSK (0.60) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4040726 0.89 CTSK (0.63) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4040109 0.88 CTSK (0.73) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4038905 0.88 CTSK (0.67) CTSKCTSSCCR1CTSVCTSL

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 5 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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
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 2/4885CTSS 3/4885CCR1 100/4885

“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.