SCHEMBL4044111

SCHEMBL4044111

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 1/20 0.40
GRIA1 P42261 1/20 0.39
ACE P12821 3/20 0.38
LHCGR P22888 2/20 0.37
MC4R P32245 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
PREP P48147 2/20 0.37
FAP Q12884 1/20 0.37
RAB9A P51151 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
F2 P00734 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL4042328 0.94 CTSK (0.51) CTSKCTSSACEMC4RMC3R
SCHEMBL4041797 0.93 CTSK (0.50) CTSKCTSSACEMC4RMC3R
SCHEMBL4044651 0.93 CTSK (0.50) CTSKCTSSACEMC4RMC3R
SCHEMBL6213140 0.92 CTSK (0.44) CTSKCTSSGRIA1ACEMC4R
SCHEMBL4037663 0.90 CTSK (0.51) CTSKCTSSGRIA1ACELHCGR
SCHEMBL4040987 0.90 CTSK (0.65) CTSKCTSSPREPFAPRAB9A
SCHEMBL4040234 0.89 CTSK (0.54) CTSKCTSSACEMC4RMC3R
SCHEMBL4045865 0.89 CTSK (0.54) CTSKCTSSACEPREPFAP
SCHEMBL4039023 0.89 CTSK (0.50) CTSKCTSSGRIA1ACELHCGR
SCHEMBL5942278 0.88 CTSK (0.65) CTSKCTSSGRIA1ACELHCGR

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 8 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
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 2/4885CTSS 3/4885GRIA1 481/4885

“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.