SCHEMBL1244115

SCHEMBL1244115

CC(C)(C)OC(=O)N1C[C@H](Oc2ncnc3ccc(Br)cc23)C[C@@]1(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.47
PIK3CA P42336 6/20 0.47
PIK3CB P42338 6/20 0.47
PIK3CG P48736 6/20 0.47
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
RAF1 P04049 1/20 0.35
KDR P35968 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
SCHEMBL2431240 0.86 RORC (0.35) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31548247 0.80 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL1273640 0.79 RXFP1 (0.42) ALDH1A1LMNANPSR1
SCHEMBL31548191 0.78 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL3302945 0.78 GPR119 (0.37)
SCHEMBL2430722 0.76 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL8246884 0.76 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL1070589 0.75 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1072580 0.74 RAB9A (0.36) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL5466136 0.74 ERBB2 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGEGFR

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-20110028494-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2011-02-03 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-20110028494-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC PIK3CD 3828/4885PIK3CA 3161/4885PIK3CB 3092/4885

“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.