SCHEMBL4218529

SCHEMBL4218529

CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)CC1CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.76
CTSS P25774 3/20 0.44
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CACNA1B Q00975 1/20 0.36
CTSB P07858 1/20 0.35

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
SCHEMBL5941332 1.00 CTSK (0.76) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4218526 1.00 CTSK (0.76) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4218525 1.00 CTSK (0.76) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4040961 0.97 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4217876 0.96 CTSK (0.72) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4043472 0.96 CTSK (0.72) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4217872 0.96 CTSK (0.72) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL5941917 0.96 CTSK (0.72) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4225274 0.94 CTSK (0.70) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL8348298 0.94 CTSK (0.70) CTSKCTSSCCR1ALDH1A1HPGD

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.