SCHEMBL8167516

SCHEMBL8167516

CCOC(=O)Cc1c[nH]c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 2/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ROCK1 Q13464 1/20 0.36
NPC1 O15118 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
SCHEMBL15897705 0.89 NPC1 (0.41) PKMSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL13952565 0.86 PKM (0.50) PKMSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL15912503 0.83 LPL (0.42) HIF1APRMT5WDR77ROCK1
SCHEMBL2083984 0.79 ROCK1 (0.37) PKMSMN1; SMN2LMNAKDM4EHIF1A
SCHEMBL24950227 0.79 MEN1 (0.49) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL14823139 0.78 PKM (0.70) PKMSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL12068442 0.78 ROCK1 (0.57) PKMHIF1AROCK1
SCHEMBL16415342 0.78 ROCK1 (0.42) PKMKMT2AALDH1A1MEN1KDM4E
SCHEMBL29825714 0.78 ROCK1 (0.57) PKMHIF1AROCK1
SCHEMBL2422531 0.77 NPC1 (0.48) KMT2AMEN1CYP2D6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS PKM 2067/4885SMN1; SMN2 2901/4885MAPT 3958/4885

“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.