SCHEMBL4040004

SCHEMBL4040004

C=Cc1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.54
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CTSS P25774 1/20 0.41
ACE P12821 2/20 0.38
ALDH1A1 P00352 1/20 0.36
HTRA1 Q92743 1/20 0.36
PREP P48147 2/20 0.35
CCR1 P32246 1/20 0.35
FAP Q12884 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
SCHEMBL4038144 0.92 CTSK (0.45) CTSKTAS1R3TAS1R1ACEHTRA1
SCHEMBL4042794 0.91 CTSK (0.57) CTSKCTSSACEALDH1A1HTRA1
SCHEMBL4044197 0.91 CTSK (0.63) CTSKCTSSACEPREPCCR1
SCHEMBL4047037 0.90 CTSK (0.56) CTSKCTSSACEALDH1A1HTRA1
SCHEMBL4041333 0.90 CTSK (0.69) CTSKCTSSACEALDH1A1PREP
SCHEMBL4039907 0.89 CTSK (0.59) CTSKCTSSACE
SCHEMBL4046945 0.89 CTSK (0.55) CTSKCTSSALDH1A1
SCHEMBL4046389 0.89 CTSK (0.69) CTSKCTSSACEALDH1A1HTRA1
SCHEMBL4042810 0.88 CTSK (0.58) CTSKCTSS
SCHEMBL4042595 0.88 CTSK (0.57) CTSKCTSSACEALDH1A1HTRA1

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 2/4885TAS1R3 2219/4885TAS1R1 2032/4885

“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.