Sugi Predict

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SCHEMBL51379

SCHEMBL51379

CCOC(=O)c1nc(C(C2CCC(CO)C2)N(C)C(=O)OCc2ccccc2)[nH]c(=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEH1 O60930 2/20 0.38
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ERCC1 P07992 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ ERCC4 Q92889 1/20 0.32
▸ ADORA3 P0DMS8 3/20 0.32
▸ DRD4 P21917 1/20 0.32

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
SCHEMBL63280 0.83 RNASEH1 (0.35) RNASEH1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL63846 0.71 ITGB3 (0.42) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL52007 0.70 CTSK (0.32) CTSLCTSBCTSSCTSKL3MBTL1
SCHEMBL51895 0.69 RNASEH1 (0.42) RNASEH1CTSLCTSBCTSSCTSK
SCHEMBL52324 0.69 ITGB3 (0.41) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL62555 0.68 RNASEH1 (0.43) RNASEH1CTSLCTSBCTSSCTSK
SCHEMBL51870 0.67 ITGB3 (0.40) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL51871 0.67 ITGB3 (0.40) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL87342 0.65 ERCC1 (0.41) RNASEH1ALDH1A1HPGDHSD17B10ERCC1
SCHEMBL52317 0.64 ITGB3 (0.33) ITGB3ITGA2BCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 — — EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 — — EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 — — WO disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 — — 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG RNASEH1 1285/4885ITGB3 2078/4885ITGA2B 1968/4885

“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.