SCHEMBL4046323

SCHEMBL4046323

CC(C)(C)c1ccc(C(=O)NC(Cc2cccc(O)c2)C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.54
CTSS P25774 3/20 0.41
ACE P12821 2/20 0.40
CTSL P07711 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
CTSB P07858 2/20 0.38
CTSV O60911 1/20 0.38
GPR132 Q9UNW8 3/20 0.37
CYP51A1 Q16850 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 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
SCHEMBL4043376 0.93 CTSK (0.56) CTSKCTSSACEALDH1A1LMNA
SCHEMBL6209046 0.91 CTSK (0.47) CTSKCTSSACECTSLCTSB
SCHEMBL4046339 0.89 CTSK (0.55) CTSKCTSSACEALDH1A1LMNA
SCHEMBL4041333 0.89 CTSK (0.69) CTSKCTSSACEALDH1A1LMNA
SCHEMBL4037811 0.88 CTSK (0.57) CTSKCTSSACEALDH1A1LMNA
SCHEMBL4049108 0.88 CTSK (0.57) CTSKCTSSACECTSLALDH1A1
SCHEMBL4044931 0.88 CTSK (0.54) CTSKCTSSACEALDH1A1LMNA
SCHEMBL4041541 0.87 CTSK (0.49) CTSKCTSSACECTSLALDH1A1
SCHEMBL4044071 0.87 CTSK (0.54) CTSKCTSSACEALDH1A1LMNA
SCHEMBL4042537 0.86 CTSK (0.49) CTSKCTSSACECTSLALDH1A1

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 6 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

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 3/4885ACE 3804/4885

“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.