SCHEMBL4894931

SCHEMBL4894931

O=C(O)C1CC(O)CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
PIK3CD O00329 3/20 0.47
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP13 P45452 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.41
SCN9A Q15858 2/20 0.40
HSD11B1 P28845 2/20 0.40
FFAR2 O15552 1/20 0.40

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
SCHEMBL2459843 0.86 PIK3CD (0.61) ATMPIK3CD
SCHEMBL10469223 0.86 PIK3CD (0.61) ATMPIK3CD
SCHEMBL9028110 0.86 PIK3CD (0.61) ATMPIK3CD
SCHEMBL9028119 0.86 PIK3CD (0.61) ATMPIK3CD
SCHEMBL13862237 0.85 ATM (0.54) ATMPIK3CDMMP2MMP9MMP8
SCHEMBL9310210 0.85 ATM (0.50) ATMPIK3CDMMP2MMP9MMP8
SCHEMBL9309228 0.84 ATM (0.46) ATMPIK3CDMMP2MMP9MMP8
SCHEMBL4424510 0.84 PIK3CD (0.52) ATMPIK3CDFFAR2
SCHEMBL9310446 0.81 ATM (0.50) ATMPIK3CDMMP2MMP9MMP8
SCHEMBL9308182 0.81 ATM (0.50) ATMPIK3CDMMP2MMP9MMP8

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E ATM 4443/4885PIK3CD 1999/4885MMP2 2198/4885

“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.