SCHEMBL4043949

SCHEMBL4043949

CC(C)CC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.53
CTSS P25774 1/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ACE P12821 2/20 0.37
GPR132 Q9UNW8 1/20 0.37
HTRA1 Q92743 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
SCHEMBL4043614 0.92 CTSK (0.44) CTSKPOLBHPGDALDH1A1CHRNB2
SCHEMBL4046945 0.92 CTSK (0.55) CTSKCTSSPOLBALDH1A1CHRNB2
SCHEMBL4042601 0.91 CTSK (0.54) CTSKCTSSPOLBALDH1A1CHRNB2
SCHEMBL4042595 0.91 CTSK (0.57) CTSKCTSSPOLBALDH1A1CHRNB2
SCHEMBL4042794 0.90 CTSK (0.57) CTSKCTSSALDH1A1ACEHTRA1
SCHEMBL4044197 0.90 CTSK (0.63) CTSKCTSSCHRNB2CHRNA7CHRNA4
SCHEMBL4039907 0.89 CTSK (0.59) CTSKCTSSACEGPR132
SCHEMBL4047037 0.89 CTSK (0.56) CTSKCTSSPOLBALDH1A1ACE
SCHEMBL4041333 0.88 CTSK (0.69) CTSKCTSSHPGDALDH1A1ACE
SCHEMBL4046389 0.88 CTSK (0.69) CTSKCTSSALDH1A1CHRNB2CHRNA7

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 4 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

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 3/4885POLB 3780/4885

“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.