SCHEMBL4042582

SCHEMBL4042582

CCCC(NC(=O)OCc1ccccc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.44
CTSS P25774 5/20 0.44
CTSB P07858 3/20 0.44
CTSL P07711 7/20 0.41
CYP3A4 P08684 1/20 0.40
TGM2 P21980 2/20 0.40
FKBP1A P62942 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL4042866 0.92 CTSK (0.50) CTSKCTSSCTSBCTSL
SCHEMBL4038871 0.91 CTSK (0.42) CTSKCTSSCTSBCTSLTGM2
SCHEMBL4043998 0.89 FKBP1A (0.37) CTSKCTSSCTSBFKBP1A
SCHEMBL4042885 0.89 TGM2 (0.44) CTSKCTSSCTSBCTSLTGM2
SCHEMBL4040873 0.88 CTSK (0.41) CTSKCTSSCTSBCTSLCYP3A4
SCHEMBL4043393 0.87 FKBP1A (0.35) CTSKCTSSCTSBFKBP1A
SCHEMBL4047844 0.87 SMYD3 (0.35) CTSKFKBP1A
SCHEMBL4050153 0.86 SMYD3 (0.35) FKBP1A
SCHEMBL4051063 0.86 SMYD3 (0.36) CTSKCTSSCTSLFKBP1A
SCHEMBL4039411 0.86 CTSK (0.43) CTSKFKBP1A

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 2/4885CTSS 3/4885CTSB 21/4885

“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.