Sugi Predict

Sugi Predict / Compounds / SCHEMBL51895

SCHEMBL51895

SCHEMBL51895

CCOC(=O)c1nc(C2(NC(=O)OCc3ccccc3)CCC(CO)CC2)[nH]c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RNASEH1 O60930 2/20 0.42
▸ ROCK2 O75116 1/20 0.38
▸ ADORA3 P0DMS8 5/20 0.37
▸ ERCC1 P07992 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ TLR2 O60603 2/20 0.35
▸ CTSK P43235 3/20 0.35
▸ CTSB P07858 2/20 0.35
▸ CTSS P25774 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL62555 0.95 RNASEH1 (0.43) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL63522 0.93 RNASEH1 (0.41) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL63358 0.92 RNASEH1 (0.43) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL63486 0.90 RNASEH1 (0.42) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL52518 0.88 RNASEH1 (0.39) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL63767 0.88 RNASEH1 (0.39) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL52519 0.88 RNASEH1 (0.39) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL52517 0.88 RNASEH1 (0.39) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL52441 0.88 RNASEH1 (0.45) RNASEH1ROCK2ADORA3ERCC1FEN1
SCHEMBL63444 0.87 RNASEH1 (0.43) RNASEH1ROCK2ADORA3ERCC1FEN1

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 8 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
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

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 1285/4885ROCK2 1690/4885ADORA3 1885/4885

“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.