SCHEMBL2441782

SCHEMBL2441782

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
TGM2 P21980 1/20 0.36
CMA1 P23946 1/20 0.34
P2RX7 Q99572 1/20 0.34
KLK7 P49862 1/20 0.33
TACR1 P25103 1/20 0.33
CASP1 P29466 1/20 0.33
SCN9A Q15858 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
SCHEMBL2441316 0.89 TGM2 (0.33) CTSLTGM2
SCHEMBL2440601 0.88 TGM2 (0.33) TGM2CASP1
SCHEMBL2446124 0.88 CTSL (0.42) CTSLTGM2P2RX7KLK7TACR1
SCHEMBL2441780 0.84 CMA1 (0.39) CTSLTGM2CMA1
SCHEMBL12299562 0.84 CMA1 (0.39) CTSLTGM2CMA1
SCHEMBL2444819 0.81 TGM2 (0.34) CTSLTGM2
SCHEMBL12329398 0.78 PYGL (0.35) TGM2
SCHEMBL2442469 0.77 AAK1 (0.34) CTSL
SCHEMBL12299566 0.74 TGM2 (0.33) CTSLTGM2
SCHEMBL2441314 0.74 TGM2 (0.33) CTSLTGM2

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 134/4885TGM2 2702/4885CMA1 422/4885

“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.