SCHEMBL13385341

SCHEMBL13385341

COc1ccc2c(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)ncnc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3CG P48736 4/20 0.46
CSF1R P07333 2/20 0.41
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
UCHL1 P09936 1/20 0.37
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
TRPA1 O75762 1/20 0.37
MAPK7 Q13164 1/20 0.37
MCL1 Q07820 2/20 0.36
P2RX3 P56373 1/20 0.36
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL10304516 0.86 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGUCHL1
SCHEMBL14283018 0.86 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGUCHL1
SCHEMBL10228383 0.85 CYP3A4 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL375051 0.85 CYP3A4 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL3671701 0.85 CYP3A4 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL8142622 0.85 CYP3A4 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL7394071 0.85 MET (0.41) CSF1RKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6805877 0.85 MET (0.41) CSF1RKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6805874 0.85 MET (0.41) CSF1RKDM4ENPC1RAB9AL3MBTL1
SCHEMBL1942540 0.85 MET (0.41) CSF1RKDM4ENPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 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 (2 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 PIK3CD 4410/4885PIK3CA 4365/4885PIK3CB 4114/4885
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 PIK3CD 4374/4885PIK3CA 4221/4885PIK3CB 3986/4885

“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.