SCHEMBL4229636

SCHEMBL4229636

CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)[C@H](C)N

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.78
CTSS P25774 3/20 0.45
CCR1 P32246 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
CTSV O60911 2/20 0.37
CTSL P07711 2/20 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
SCHEMBL4224341 1.00 CTSK (0.78) CTSKCTSSCCR1SMYD3POLB
SCHEMBL4229632 1.00 CTSK (0.78) CTSKCTSSCCR1SMYD3POLB
SCHEMBL4224342 1.00 CTSK (0.78) CTSKCTSSCCR1SMYD3POLB
SCHEMBL5941558 1.00 CTSK (0.78) CTSKCTSSCCR1SMYD3POLB
SCHEMBL5942112 1.00 CTSK (0.78) CTSKCTSSCCR1SMYD3POLB
SCHEMBL4224343 1.00 CTSK (0.78) CTSKCTSSCCR1SMYD3POLB
SCHEMBL4207543 0.94 CTSK (0.77) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4040277 0.94 CTSK (0.77) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL5941958 0.94 CTSK (0.77) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL5941962 0.94 CTSK (0.77) CTSKCTSSCCR1POLBALDH1A1

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 3/4885CCR1 100/4885

“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.