SCHEMBL6842102

SCHEMBL6842102

CCCC(NC(=O)c1cccc2cccnc12)C(=O)N(C)[C@H]1CC[C@@H](C)N(C(=O)NC(CC(C)C)C(=O)OC)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.43
CTSL P07711 7/20 0.43
CTSS P25774 7/20 0.43
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HCRTR1 O43613 6/20 0.35
HCRTR2 O43614 3/20 0.34
MMP1 P03956 1/20 0.34
ADAM17 P78536 1/20 0.34
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 1/20 0.33
CTSB P07858 2/20 0.33
CTSV O60911 1/20 0.33

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
SCHEMBL6842101 1.00 CTSK (0.43) CTSKCTSLCTSSTAS1R3TAS1R1
SCHEMBL4321788 0.83 CTSK (0.59) CTSKCTSLCTSSTAS1R3TAS1R1
SCHEMBL4321792 0.83 CTSK (0.59) CTSKCTSLCTSSTAS1R3TAS1R1
SCHEMBL4557501 0.77 CTSK (0.47) CTSKCTSLCTSSTAS1R3TAS1R1
SCHEMBL4557499 0.77 CTSK (0.47) CTSKCTSLCTSSTAS1R3TAS1R1
SCHEMBL4316121 0.75 CTSK (0.61) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL13784236 0.75 CTSK (0.61) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL4316126 0.75 CTSK (0.61) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL6622168 0.75 TAS1R3 (0.62) CTSKCTSLCTSSTAS1R3TAS1R1
SCHEMBL6622312 0.66 MMP1 (0.52) CTSKCTSLCTSSTAS1R3TAS1R1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed

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-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSL 11/4885CTSS 5/4885

“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.