SCHEMBL4213145

SCHEMBL4213145

O=C(N[C@@H](CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.56
CTSS P25774 7/20 0.55
CTSL P07711 5/20 0.55
CTSV O60911 2/20 0.55
GPR132 Q9UNW8 1/20 0.44
HTRA1 Q92743 8/20 0.43
PKM P14618 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL4213137 1.00 CTSK (0.56) CTSKCTSSCTSLCTSVGPR132
SCHEMBL4213141 1.00 CTSK (0.56) CTSKCTSSCTSLCTSVGPR132
SCHEMBL5942062 1.00 CTSK (0.56) CTSKCTSSCTSLCTSVGPR132
SCHEMBL4214766 0.90 CTSK (0.67) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL4214768 0.90 CTSK (0.67) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL5941431 0.90 CTSK (0.67) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL4219845 0.90 CTSK (0.67) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL4371052 0.88 CTSK (0.72) CTSKCTSSCTSLCTSVPKM
SCHEMBL5942128 0.88 CTSK (0.72) CTSKCTSSCTSLCTSVPKM
SCHEMBL4371066 0.88 CTSK (0.72) CTSKCTSSCTSLCTSVPKM

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 2 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 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 3/4885CTSL 57/4885

“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.