SCHEMBL4039803

SCHEMBL4039803

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
HIF1A Q16665 6/20 0.40
EPAS1 Q99814 6/20 0.40
SLC6A5 Q9Y345 1/20 0.39
GPR132 Q9UNW8 4/20 0.38
ACE P12821 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CTSS P25774 1/20 0.36
FFAR2 O15552 1/20 0.36
VNN1 O95497 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
SCHEMBL4037811 0.93 CTSK (0.57) CTSKGPR132ACECTSS
SCHEMBL4039907 0.92 CTSK (0.59) CTSKHIF1AEPAS1SLC6A5GPR132
SCHEMBL4045236 0.92 CTSK (0.47) CTSKGPR132ACE
SCHEMBL4038809 0.92 CTSK (0.45) CTSKSLC6A5GPR132ACE
SCHEMBL4037490 0.90 CTSK (0.48) CTSKGPR132ACE
SCHEMBL4039388 0.90 CTSK (0.45) CTSKGPR132
SCHEMBL4039065 0.90 CTSK (0.57) CTSKGPR132ACE
SCHEMBL4043614 0.89 CTSK (0.44) CTSKGPR132ACE
SCHEMBL4038144 0.89 CTSK (0.45) CTSKGPR132ACE
SCHEMBL4042871 0.88 CTSK (0.48) CTSKGPR132ACE

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 3 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

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 2/4885HIF1A 1668/4885EPAS1 3969/4885

“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.