SCHEMBL15565779

SCHEMBL15565779

COC(=O)c1ccc(COc2ccc(C[C@@H](CO)NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
PTPN1 P18031 2/20 0.48
BCL2 P10415 1/20 0.48
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.45
LNPEP Q9UIQ6 2/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HDAC1 Q13547 1/20 0.43
NR4A2 P43354 1/20 0.42

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
SCHEMBL15565776 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15564732 0.90 RXRA (0.54) NPC1RAB9ASMN1; SMN2PTPN1BCL2
SCHEMBL272806 0.88 ATM (0.59) PTPN1BCL2ATMITGB3ITGA2B
SCHEMBL5410539 0.88 ATM (0.59) PTPN1BCL2ATMITGB3ITGA2B
SCHEMBL272406 0.88 ATM (0.59) PTPN1BCL2ATMITGB3ITGA2B
SCHEMBL16991003 0.85 PTPN1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16991005 0.85 PTPN1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16991018 0.85 BCL2 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16991016 0.85 BCL2 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16991078 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882740-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-9453048-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-9453048-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150225452-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-13 US disclosed
US-20150225452-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-13 US disclosed
EP-2882740-A1 IAP ANTAGONISTS Bristol-Myers Squibb Company (US) 2015-06-17 EP disclosed
WO-2014025759-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-13 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-20150225452-A1 IAP ANTAGONISTS XIAP, API5, BIRC5 NPC1 1820/4885RAB9A 1699/4885SMN1; SMN2 1768/4885

“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.