SCHEMBL2443689

SCHEMBL2443689

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1[C@@H](CNC(=O)OCc1ccccc1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
TGM2 P21980 2/20 0.41
BACE1 P56817 3/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
SYK P43405 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR7 P34969 1/20 0.34
HTR5A P47898 1/20 0.34
HTR6 P50406 1/20 0.34
RORC P51449 3/20 0.34
KLK7 P49862 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.33
PARP1 P09874 1/20 0.33
KLK5 Q9Y337 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
SCHEMBL2443429 1.00 ABCB1 (0.42) ABCB1TGM2BACE1BACE2SYK
SCHEMBL12299660 1.00 ABCB1 (0.42) ABCB1TGM2BACE1BACE2SYK
SCHEMBL12299661 1.00 ABCB1 (0.42) ABCB1TGM2BACE1BACE2SYK
SCHEMBL14780763 1.00 ABCB1 (0.42) ABCB1TGM2BACE1BACE2SYK
SCHEMBL2444743 0.89 ABCB1 (0.41) ABCB1TGM2BACE1BACE2SYK
SCHEMBL2437743 0.89 ABCB1 (0.41) ABCB1TGM2BACE1BACE2SYK
SCHEMBL2444746 0.89 ABCB1 (0.41) ABCB1TGM2BACE1BACE2SYK
SCHEMBL12330072 0.89 ABCB1 (0.41) ABCB1TGM2BACE1BACE2SYK
SCHEMBL12299685 0.89 ABCB1 (0.41) ABCB1TGM2BACE1BACE2SYK
SCHEMBL12299665 0.89 ABCB1 (0.41) ABCB1TGM2BACE1BACE2SYK

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 ABCB1 393/4885TGM2 2702/4885BACE1 33/4885

“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.