SCHEMBL4041490

SCHEMBL4041490

Cc1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.51
CTSS P25774 1/20 0.40
ACE P12821 1/20 0.38
SMYD3 Q9H7B4 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4037649 0.93 CTSK (0.51) CTSKCTSSACESMYD3ALDH1A1
SCHEMBL4040613 0.93 CTSK (0.61) CTSKCTSSACESMYD3ALDH1A1
SCHEMBL3958840 0.92 CTSK (0.53) CTSKCTSSACESMYD3
SCHEMBL4042580 0.92 CTSK (0.49) CTSKCTSSLMNA
SCHEMBL4037395 0.92 CTSK (0.62) CTSKCTSSACESMYD3LMNA
SCHEMBL4040649 0.92 CTSK (0.42) CTSKACESMYD3ALDH1A1LMNA
SCHEMBL4039595 0.91 CTSK (0.49) CTSKCTSSACESMYD3PREP
SCHEMBL4043635 0.91 CTSK (0.52) CTSKCTSSACE
SCHEMBL4043380 0.90 CTSK (0.56) CTSKCTSS
SCHEMBL4040633 0.90 CTSK (0.48) CTSKCTSSACE

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 4 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
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 3/4885ACE 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.