SCHEMBL2446124

SCHEMBL2446124

CC(C)(C)OC(=O)NC(C(=O)N1CC=C2C1C(c1c[nH]c3cc(F)ccc13)CN2C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
PDE4B Q07343 1/20 0.36
TGM2 P21980 1/20 0.36
CACNA1B Q00975 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KLK7 P49862 1/20 0.33
HTRA1 Q92743 1/20 0.33
P2RX7 Q99572 1/20 0.33
TACR1 P25103 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
SCHEMBL2442469 0.90 AAK1 (0.34) CTSLCACNA1B
SCHEMBL2441782 0.88 CTSL (0.36) CTSLTGM2KLK7P2RX7TACR1
SCHEMBL2446120 0.85 CTSL (0.44) CTSLPDE4BTGM2ITGB3ITGA2B
SCHEMBL12299586 0.85 CTSL (0.44) CTSLPDE4BTGM2ITGB3ITGA2B
SCHEMBL12299680 0.85 CTSL (0.43) CTSLPDE4BTGM2CACNA1BITGB3
SCHEMBL2442069 0.84 SCN9A (0.33) CTSLCACNA1B
SCHEMBL13448807 0.83 CTSL (0.40) CTSLPDE4BTGM2CACNA1BITGB3
SCHEMBL12299720 0.83 CTSL (0.40) CTSLPDE4BTGM2CACNA1BITGB3
SCHEMBL2440601 0.82 TGM2 (0.33) TGM2
SCHEMBL13448815 0.81 HTR2A (0.35) CTSL

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 2 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-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 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-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.