SCHEMBL4037353

SCHEMBL4037353

CC(C)CC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.48
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
CTSS P25774 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ACE P12821 1/20 0.36
SMYD3 Q9H7B4 2/20 0.36
GPR132 Q9UNW8 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
SCHEMBL4038694 0.93 CTSK (0.39) CTSKPOLBHPGDCHRNB2CHRNA7
SCHEMBL4042580 0.92 CTSK (0.49) CTSKCTSSCHRNB2CHRNA7CHRNA4
SCHEMBL4043304 0.91 CTSK (0.49) CTSKCTSSCHRNB2CHRNA7CHRNA4
SCHEMBL4043635 0.91 CTSK (0.52) CTSKCTSSACEGPR132
SCHEMBL4041490 0.90 CTSK (0.51) CTSKCTSSACESMYD3
SCHEMBL3958840 0.90 CTSK (0.53) CTSKCTSSACESMYD3GPR132
SCHEMBL4042964 0.90 CTSK (0.49) CTSKPOLBCTSS
SCHEMBL4037649 0.89 CTSK (0.51) CTSKPOLBCTSSACESMYD3
SCHEMBL4040613 0.89 CTSK (0.61) CTSKHPGDCTSSACESMYD3
SCHEMBL4043775 0.88 CTSK (0.50) CTSKPOLBCTSS

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 12 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
EP-1692135-A4 A NEW PROCESS FOR PREPARATION OF IMIPENEM CHOONGWAE PHARMA CORP (KR) 2009-02-25 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
EP-1692135-A1 A NEW PROCESS FOR PREPARATION OF IMIPENEM Choongwae Pharma Corporation (KR) 2006-08-23 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-2005056553-A1 A NEW PROCESS FOR PREPARATION OF IMIPENEM CHOONGWAE PHARM.CO. (KR) 2005-06-23 WO 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 2/4885POLB 3780/4885HPGD 1402/4885

“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.