SCHEMBL817543

SCHEMBL817543

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.35
F2 P00734 1/20 0.33
TACR1 P25103 1/20 0.33
PREP P48147 2/20 0.33
TNF P01375 4/20 0.33
XIAP P98170 3/20 0.32
BIRC3 Q13489 2/20 0.32
CTSK P43235 3/20 0.32
CTSS P25774 2/20 0.32
CTSL P07711 1/20 0.32
BIRC2 Q13490 2/20 0.32
CCKBR P32239 1/20 0.32
CTSB P07858 1/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL817544 0.87 CTSK (0.35) CAPN1TACR1PREPCTSKCTSS
SCHEMBL820313 0.87 CTSK (0.35) CAPN1TACR1PREPCTSKCTSS
SCHEMBL818270 0.78 DPP8 (0.37)
SCHEMBL2439989 0.69 CTSL (0.42) PREPXIAPBIRC3CTSLBIRC2
SCHEMBL2440300 0.67 XIAP (0.32) TNFXIAPBIRC3CTSKCTSS
SCHEMBL12329404 0.65 XIAP (0.49) XIAPBIRC3BIRC2
SCHEMBL2440819 0.65 XIAP (0.49) XIAPBIRC3BIRC2
SCHEMBL12405710 0.64 CTSK (0.39) PREPXIAPBIRC3CTSKCTSS
SCHEMBL2113431 0.64 CTSL (0.40) XIAPBIRC3CTSLREN
SCHEMBL13449171 0.63 SIGMAR1 (0.47) PREPXIAPBIRC3BIRC2

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 CAPN1 583/4885F2 4456/4885TACR1 4669/4885

“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.