SCHEMBL87206

SCHEMBL87206

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

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM5B Q9UGL1 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
OGFRL1 Q5TC84 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
SCHEMBL86884 0.90 L3MBTL1 (0.33) HSD17B10GAAKMT2AHPGDATM
SCHEMBL52083 0.87 HPGD (0.38) KMT2AHPGDL3MBTL1LMNATP53
SCHEMBL52189 0.85 OGFRL1 (0.32) OGFRL1
SCHEMBL87253 0.85 MMP9 (0.31)
SCHEMBL13691683 0.82 HPGD (0.32) HSD17B10HPGDATML3MBTL1RAB9A
SCHEMBL51826 0.78 OGFRL1 (0.35) HSD17B10GAAKMT2AHPGDL3MBTL1
SCHEMBL51931 0.78 HPGD (0.40) KMT2AHPGDL3MBTL1TP53MAPT
SCHEMBL16130200 0.76 TLR2 (0.38) HPGDATML3MBTL1TP53MAPT
SCHEMBL62662 0.76 MAOB (0.33) KMT2AHPGDL3MBTL1NPC1LMNA
SCHEMBL53152 0.76 HPGD (0.38) KMT2AHPGDL3MBTL1TP53MAPT

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 HSD17B10 652/4885GAA 195/4885KMT2A 1339/4885

“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.