Sugi Predict

Sugi Predict / Compounds / SCHEMBL9942868

SCHEMBL9942868

SCHEMBL9942868

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEH1 O60930 2/20 0.42
▸ ROCK2 O75116 1/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSB P07858 3/20 0.34
▸ CTSS P25774 3/20 0.34
▸ CTSL P07711 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ CTSK P43235 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33

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
SCHEMBL63444 0.91 RNASEH1 (0.43) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL52441 0.90 RNASEH1 (0.45) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL51895 0.87 RNASEH1 (0.42) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL51972 0.87 RNASEH1 (0.42) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL63358 0.86 RNASEH1 (0.43) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL2080700 0.85 RNASEH1 (0.42) RNASEH1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL63522 0.84 RNASEH1 (0.41) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL13691480 0.84 RNASEH1 (0.43) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL62555 0.84 RNASEH1 (0.43) RNASEH1ROCK2ERCC1FEN1ERCC4
SCHEMBL63486 0.82 RNASEH1 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 — — US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 — — US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 — — US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 — — US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 — — US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 — — US disclosed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 — — 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-20120309698-A1 HIV Integrase Inhibitors DNTT, POLB, UNG RNASEH1 1285/4885ROCK2 1690/4885ERCC1 236/4885

“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.