SCHEMBL4038930

SCHEMBL4038930

COc1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.52
CTSS P25774 9/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
CDK5 Q00535 1/20 0.39
PAX8 Q06710 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 8/20 0.39
KMT2A Q03164 1/20 0.39
CTSB P07858 2/20 0.38
CTSV O60911 1/20 0.37
HTRA1 Q92743 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4040733 0.94 CTSK (0.53) CTSKCTSSPKMCTSLCTSB
SCHEMBL4040788 0.93 CTSK (0.51) CTSKCTSSNPC1RAB9ASMN1; SMN2
SCHEMBL4039168 0.92 CTSK (0.43) CTSKNPC1PKMHPGDRAB9A
SCHEMBL4043898 0.92 CTSK (0.54) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4043312 0.92 CTSK (0.51) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL4041703 0.91 CTSK (0.53) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4044816 0.91 CTSK (0.65) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6210306 0.90 CTSK (0.43) CTSKNPC1PKMHPGDRAB9A
SCHEMBL4044423 0.90 CTSK (0.65) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4045073 0.90 CTSK (0.56) CTSKCTSSCTSLCTSBALDH1A1

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 8 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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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 3/4885NPC1 787/4885

“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.