SCHEMBL9613455

SCHEMBL9613455

CC(C)(C)OC(=O)NCC(=O)N1C[C@H](OCc2ccc(F)cc2)[C@H]2NCC[C@H]21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.34
RORC P51449 1/20 0.33
PABPC1 P11940 1/20 0.33
CACNA1B Q00975 2/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL9613548 0.88 MLNR (0.36) SIGMAR1JAK1JAK2MEN1ALDH1A1
SCHEMBL2707640 0.86 BACE1 (0.41) BACE1BACE2
SCHEMBL9611358 0.86 BACE1 (0.41) BACE1BACE2
SCHEMBL9613550 0.79 DPP8 (0.36) BACE1BACE2SIGMAR1JAK1JAK2
SCHEMBL13017323 0.79 DPP8 (0.36) BACE1BACE2SIGMAR1JAK1JAK2
SCHEMBL9613457 0.79 SIGMAR1 (0.43) SIGMAR1
SCHEMBL9613500 0.78 BCHE (0.41) SIGMAR1
SCHEMBL9613553 0.76 P2RX7 (0.41) SIGMAR1PABPC1
SCHEMBL13017324 0.76 P2RX7 (0.41) SIGMAR1PABPC1
SCHEMBL9611499 0.74 KLK7 (0.42) KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
WO-2010138666-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 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-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 BACE1 33/4885BACE2 41/4885SIGMAR1 4435/4885

“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.