Sugi Predict

Sugi Predict / Compounds / SCHEMBL51972

SCHEMBL51972

SCHEMBL51972

CCOC(=O)c1nc(C2(NC(=O)OCc3ccccc3)CCC3(CC2)OCCO3)[nH]c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEH1 O60930 2/20 0.42
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 1/20 0.37
▸ GABRQ Q9UN88 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ FEN1 P39748 1/20 0.36

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
SCHEMBL4233444 0.91 RNASEH1 (0.42) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL52441 0.88 RNASEH1 (0.45) RNASEH1GABRPGABRDGABRA1GABRB1
SCHEMBL63444 0.87 RNASEH1 (0.43) RNASEH1GABRPGABRDGABRA1GABRB1
SCHEMBL9942868 0.87 RNASEH1 (0.42) RNASEH1GABRPGABRDGABRA1GABRB1
SCHEMBL63358 0.86 RNASEH1 (0.43) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL13691480 0.86 RNASEH1 (0.43) RNASEH1GABRPGABRDGABRA1GABRB1
SCHEMBL51895 0.85 RNASEH1 (0.42) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL2080700 0.85 RNASEH1 (0.42) RNASEH1KMT2ANPC1RAB9AALDH1A1
SCHEMBL63522 0.84 RNASEH1 (0.41) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL62555 0.84 RNASEH1 (0.43) RNASEH1ROCK2ERCC1FEN1ERCC4

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 1285/4885GABRP 1412/4885GABRD 3690/4885

“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.