SCHEMBL4041541

SCHEMBL4041541

CC(C)(C)c1ccc(C(=O)NC(Cc2cccc(O)c2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
ACE P12821 2/20 0.38
CTSS P25774 1/20 0.38
CTSL P07711 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMYD3 Q9H7B4 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
F2 P00734 1/20 0.36
USP30 Q70CQ3 1/20 0.36
F10 P00742 1/20 0.36
GPR132 Q9UNW8 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4039023 0.93 CTSK (0.50) CTSKACECTSSALDH1A1LMNA
SCHEMBL6209419 0.92 ACE (0.42) CTSKACECTSSCTSLSMYD3
SCHEMBL4042537 0.91 CTSK (0.49) CTSKACECTSSCTSLALDH1A1
SCHEMBL4044651 0.90 CTSK (0.50) CTSKACECTSSCTSLALDH1A1
SCHEMBL3951683 0.90 CTSK (0.49) CTSKACECTSSALDH1A1LMNA
SCHEMBL4040613 0.90 CTSK (0.61) CTSKACECTSSALDH1A1LMNA
SCHEMBL4040540 0.89 CTSK (0.51) CTSKACECTSSCTSLALDH1A1
SCHEMBL4045831 0.89 CTSK (0.51) CTSKACECTSSALDH1A1LMNA
SCHEMBL4044253 0.89 CTSK (0.48) CTSKACECTSSALDH1A1LMNA
SCHEMBL4038140 0.89 CTSK (0.50) CTSKCTSSCTSLALDH1A1LMNA

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-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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP 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 2/4885ACE 3804/4885CTSS 3/4885

“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.