SCHEMBL2444746

SCHEMBL2444746

CC(C)(C)OC(=O)N1CC(O)CC1[C@@H](CNC(=O)OCc1ccccc1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
TGM2 P21980 2/20 0.41
SYK P43405 1/20 0.37
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
HTR7 P34969 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.35
POLB P06746 1/20 0.35
CASP1 P29466 1/20 0.35
CTSL P07711 1/20 0.34
RORC P51449 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2444743 1.00 ABCB1 (0.41) ABCB1TGM2SYKBACE1BACE2
SCHEMBL12299665 1.00 ABCB1 (0.41) ABCB1TGM2SYKBACE1BACE2
SCHEMBL12330072 1.00 ABCB1 (0.41) ABCB1TGM2SYKBACE1BACE2
SCHEMBL2437743 1.00 ABCB1 (0.41) ABCB1TGM2SYKBACE1BACE2
SCHEMBL12299685 1.00 ABCB1 (0.41) ABCB1TGM2SYKBACE1BACE2
SCHEMBL2443429 0.89 ABCB1 (0.42) ABCB1TGM2SYKBACE1BACE2
SCHEMBL14780763 0.89 ABCB1 (0.42) ABCB1TGM2SYKBACE1BACE2
SCHEMBL12299661 0.89 ABCB1 (0.42) ABCB1TGM2SYKBACE1BACE2
SCHEMBL2443689 0.89 ABCB1 (0.42) ABCB1TGM2SYKBACE1BACE2
SCHEMBL12299660 0.89 ABCB1 (0.42) ABCB1TGM2SYKBACE1BACE2

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 2702/4885SYK 4773/4885

“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.