SCHEMBL4040969

SCHEMBL4040969

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
USP30 Q70CQ3 6/20 0.43
MC4R P32245 2/20 0.40
MC3R P41968 2/20 0.40
MC1R Q01726 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSS P25774 1/20 0.39
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.37
CA2 P00918 1/20 0.37
SLC2A1 P11166 1/20 0.37
NAMPT P43490 1/20 0.37
ACE P12821 1/20 0.37

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
SCHEMBL4037663 0.94 CTSK (0.51) CTSKUSP30LMNAMAPTALDH1A1
SCHEMBL4037679 0.92 CTSK (0.49) CTSKUSP30LMNACTSSF2
SCHEMBL6211316 0.91 CTSK (0.43) CTSKUSP30MC4RMC3RMC1R
SCHEMBL4042328 0.90 CTSK (0.51) CTSKUSP30MC4RMC3RMC1R
SCHEMBL3951683 0.90 CTSK (0.49) CTSKUSP30MC4RMC3RMC1R
SCHEMBL4039791 0.89 CTSK (0.64) CTSKLMNAMAPTALDH1A1CTSS
SCHEMBL4042537 0.89 CTSK (0.49) CTSKUSP30LMNAMAPTALDH1A1
SCHEMBL4040008 0.88 CTSK (0.53) CTSKLMNAMAPTALDH1A1CTSS
SCHEMBL4040210 0.88 CTSK (0.53) CTSKLMNAMAPTALDH1A1CTSS
SCHEMBL4039737 0.88 CTSK (0.51) CTSKUSP30TP53MAPTALDH1A1

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 2/4885USP30 2688/4885MC4R 3708/4885

“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.