SCHEMBL12299586

SCHEMBL12299586

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](c1c[nH]c3cc(F)ccc13)CN2C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
PDE4B Q07343 1/20 0.37
TGM2 P21980 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CMA1 P23946 1/20 0.35
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL2446120 1.00 CTSL (0.44) CTSLPDE4BTGM2ITGB3ITGA2B
SCHEMBL2440138 0.92 CTSL (0.39) CTSLCCKARCCKBR
SCHEMBL12299624 0.92 CTSL (0.39) CTSLCCKARCCKBR
SCHEMBL13449172 0.92 CTSL (0.47) CTSLCCKARCCKBR
SCHEMBL12299511 0.92 CTSL (0.47) CTSLCCKARCCKBR
SCHEMBL13449164 0.92 CTSL (0.47) CTSLCCKARCCKBR
SCHEMBL12299486 0.92 CTSL (0.47) CTSLCCKARCCKBR
SCHEMBL2438546 0.91 HSD11B1 (0.36) CTSL
SCHEMBL12329668 0.91 HSD11B1 (0.36) CTSL
SCHEMBL12299680 0.90 CTSL (0.43) CTSLPDE4BTGM2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 US disclosed
WO-2010033531-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-03-25 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CTSL 134/4885PDE4B 1668/4885TGM2 2702/4885

“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.