SCHEMBL4043594

SCHEMBL4043594

CC(C)CC(NC(=O)c1ccc(N)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.67
CTSS P25774 1/20 0.52
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.37
PPID Q08752 1/20 0.36
PPIG Q13427 1/20 0.36
CA1 P00915 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CACNA1B Q00975 1/20 0.35
CA2 P00918 2/20 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
SCHEMBL4047740 0.91 CTSK (0.67) CTSKCTSSPOLBCCR1PPID
SCHEMBL4040490 0.91 CTSK (0.81) CTSKCTSSPOLBCCR1
SCHEMBL4043166 0.90 CTSK (0.65) CTSKCTSSCCR1
SCHEMBL4045245 0.90 CTSK (0.82) CTSKCTSSPOLBCCR1CA1
SCHEMBL5942170 0.90 CTSK (0.82) CTSKCTSSPOLBCCR1CA1
SCHEMBL4040287 0.90 CTSK (0.82) CTSKCTSSPOLBCCR1PPID
SCHEMBL4039539 0.89 CTSK (0.69) CTSKCTSSPOLBCCR1CA1
SCHEMBL4041700 0.88 CTSK (0.69) CTSKCTSSPOLBCCR1PPID
SCHEMBL4042321 0.88 CTSK (0.63) CTSKCTSS
SCHEMBL4043278 0.88 CTSK (0.63) CTSKCTSS

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
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 3/4885POLB 3780/4885

“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.