SCHEMBL817544

SCHEMBL817544

CC(=O)OC1CCN(C(=O)C(NC(=O)C(C)N(C)C(=O)OCc2ccccc2)C2CCCCC2)C1Cc1c(Br)[nH]c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.35
CTSS P25774 8/20 0.35
CTSL P07711 7/20 0.35
CTSB P07858 3/20 0.35
CAPN1 P07384 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
TACR1 P25103 1/20 0.32
PREP P48147 2/20 0.31

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
SCHEMBL820313 1.00 CTSK (0.35) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL817543 0.87 CAPN1 (0.35) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL818270 0.78 DPP8 (0.37)
SCHEMBL20681627 0.73 CTSK (0.45) CTSKCTSSCTSLCTSBSIGMAR1
SCHEMBL20681625 0.73 CTSK (0.45) CTSKCTSSCTSLCTSBSIGMAR1
SCHEMBL1163059 0.73 CTSK (0.45) CTSKCTSSCTSLCTSBSIGMAR1
SCHEMBL21107394 0.72 CTSK (0.44) CTSKCTSSCTSLCTSBSIGMAR1
SCHEMBL12299490 0.72 CTSK (0.38) CTSKCTSSCTSLCTSBSIGMAR1
SCHEMBL13449085 0.72 CTSK (0.38) CTSKCTSSCTSLCTSBSIGMAR1
SCHEMBL12299516 0.72 CTSK (0.38) CTSKCTSSCTSLCTSBSIGMAR1

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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 CTSK 1682/4885CTSS 1058/4885CTSL 604/4885

“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.