SCHEMBL4039907

SCHEMBL4039907

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.59
CTSS P25774 1/20 0.44
HIF1A Q16665 6/20 0.41
EPAS1 Q99814 6/20 0.41
SLC6A5 Q9Y345 1/20 0.39
ACE P12821 1/20 0.38
GPR132 Q9UNW8 1/20 0.38
PSMB5 P28074 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
SCHEMBL4041333 0.93 CTSK (0.69) CTSKCTSSACE
SCHEMBL4039803 0.92 CTSK (0.49) CTSKCTSSHIF1AEPAS1SLC6A5
SCHEMBL4042794 0.92 CTSK (0.57) CTSKCTSSACE
SCHEMBL4044197 0.92 CTSK (0.63) CTSKCTSSACE
SCHEMBL4042601 0.91 CTSK (0.54) CTSKCTSSSLC6A5ACEGPR132
SCHEMBL4047037 0.91 CTSK (0.56) CTSKCTSSACE
SCHEMBL4046389 0.90 CTSK (0.69) CTSKCTSSACE
SCHEMBL4046945 0.90 CTSK (0.55) CTSKCTSS
SCHEMBL4043949 0.89 CTSK (0.53) CTSKCTSSACEGPR132
SCHEMBL4040004 0.89 CTSK (0.54) CTSKCTSSACE

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-2097430-A1 5'-O-[(N-ACYL)AMIDOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDOTHIOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDODITHIOPHOSPHATE]- AND 5'-O-[N- ACYL)AMIDOSELENOPHOSPHATE-DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF Centrum Badan Molekularnych I Makromolekularnych Pan (PL) 2009-09-09 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
WO-2008048128-A1 5'-O-[(N-ACYL)AMIDOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDOTHIOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDODITHIOPHOSPHATE]- AND 5'-O-[(N- ACYL)AMIDOSELENOPHOSPHATE]-DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH, POLSKIEJ AKADEMII NAUK (PL) 2008-04-24 WO 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
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 3/4885HIF1A 1668/4885

“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.