SCHEMBL3305756

SCHEMBL3305756

C=CCCc1nc2ccc(OC)cc2nc1O[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
DYRK1A Q13627 1/20 0.31
CYP3A4 P08684 1/20 0.30
RORC P51449 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
SCHEMBL21800783 0.90 BACE1 (0.34) SLC2A1BACE1KDM4ENPC1RAB9A
SCHEMBL1583415 0.85 BACE1 (0.37) SLC2A1BACE1KDM4ENPC1RAB9A
SCHEMBL1083353 0.84 RAB9A (0.36) SLC2A1BACE1KDM4ENPC1RAB9A
SCHEMBL1072471 0.84 RAB9A (0.36) SLC2A1BACE1KDM4ENPC1RAB9A
SCHEMBL21800693 0.83 BACE1 (0.34) SLC2A1BACE1KDM4ENPC1RAB9A
SCHEMBL1072580 0.80 RAB9A (0.36) BACE1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL17114933 0.80 P2RX3 (0.45) SLC2A1BACE1KDM4ENPC1RAB9A
SCHEMBL13395391 0.80 P2RX3 (0.45) SLC2A1BACE1KDM4ENPC1RAB9A
SCHEMBL1068681 0.75 KDM4E (0.36) SLC2A1BACE1KDM4ENPC1RAB9A
SCHEMBL17099108 0.74 CYP2D6 (0.34) KDM4ENPC1RAB9AL3MBTL1CYP3A4

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-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC SLC2A1 3533/4885BACE1 1197/4885KDM4E 2747/4885

“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.