SCHEMBL86884

SCHEMBL86884

CCCCOc1c(C(=O)OCC)nc2n(c1=O)CC1CCC2(OCC(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.33
HPGD P15428 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
PTPN22 Q9Y2R2 4/20 0.32
DUSP3 P51452 5/20 0.32
PTPN7 P35236 4/20 0.32
POLB P06746 3/20 0.32
PTPN12 Q05209 3/20 0.32
BLM P54132 2/20 0.32
CACNA1B Q00975 2/20 0.32
APBA1 Q02410 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
DUSP6 Q16828 1/20 0.32
GAA P10253 1/20 0.31
DNMT1 P26358 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
NPC1 O15118 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
SCHEMBL87206 0.90 HSD17B10 (0.31) L3MBTL1HPGDATMKMT2ATP53
SCHEMBL51931 0.87 HPGD (0.40) L3MBTL1HPGDMEN1KMT2APTPN22
SCHEMBL87253 0.82 MMP9 (0.31)
SCHEMBL13691675 0.82 MEN1 (0.31) L3MBTL1HPGDATMMEN1KMT2A
SCHEMBL53152 0.80 HPGD (0.38) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL52083 0.80 HPGD (0.38) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL16130200 0.77 TLR2 (0.38) L3MBTL1HPGDATMPOLBTP53
SCHEMBL51826 0.77 OGFRL1 (0.35) L3MBTL1HPGDMEN1KMT2ABLM
SCHEMBL62833 0.76 MAOB (0.33) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL52189 0.75 OGFRL1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG L3MBTL1 2276/4885HPGD 1406/4885ATM 967/4885

“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.