SCHEMBL5941355

SCHEMBL5941355

CCCC(C)C(=O)N1CC(=O)[C@@H]2[C@H]1CCN2C(=O)[C@H](CC(C)C)NC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.75
CTSS P25774 1/20 0.43
CCR1 P32246 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CACNA1B Q00975 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5941357 1.00 CTSK (0.75) CTSKCTSSCCR1TAS1R3TAS1R1
SCHEMBL4220046 0.93 CTSK (0.75) CTSKCTSSCCR1CACNA1BCA12
SCHEMBL5941647 0.93 CTSK (0.75) CTSKCTSSCCR1CACNA1BCA12
SCHEMBL4220051 0.93 CTSK (0.75) CTSKCTSSCCR1CACNA1BCA12
SCHEMBL4220049 0.93 CTSK (0.75) CTSKCTSSCCR1CACNA1BCA12
SCHEMBL4217448 0.93 CTSK (0.77) CTSKCTSSCCR1CACNA1BCA12
SCHEMBL5941755 0.93 CTSK (0.77) CTSKCTSSCCR1CACNA1BCA12
SCHEMBL4217458 0.93 CTSK (0.77) CTSKCTSSCCR1CACNA1BCA12
SCHEMBL4217453 0.93 CTSK (0.77) CTSKCTSSCCR1CACNA1BCA12
SCHEMBL4040362 0.92 CTSK (0.73) CTSKCTSSCCR1CACNA1BCA12

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 3 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
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 3/4885CCR1 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.