SCHEMBL21800693

SCHEMBL21800693

COc1ccc2nc(C(C)C)c(O[C@H]3CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C3)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
HPGDS O60760 7/20 0.33
DYRK1A Q13627 1/20 0.33
SLC2A1 P11166 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PDE4B Q07343 1/20 0.31
STS P08842 1/20 0.30

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
SCHEMBL1583415 0.88 BACE1 (0.37) BACE1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL21800783 0.87 BACE1 (0.34) BACE1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL1072580 0.85 RAB9A (0.36) BACE1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL1083353 0.84 RAB9A (0.36) BACE1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL1072471 0.84 RAB9A (0.36) BACE1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL3305756 0.83 SLC2A1 (0.33) BACE1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL1068681 0.78 KDM4E (0.36) BACE1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL29992438 0.78 P2RX3 (0.44) BACE1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL2434897 0.77 USP30 (0.38)
SCHEMBL1072985 0.76 GPR119 (0.34) BACE1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087265-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2020-03-19 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-20200087265-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 BACE1 539/4885KDM4E 782/4885RAB9A 1558/4885

“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.