Sugi Predict

Sugi Predict / Compounds / SCHEMBL52276

SCHEMBL52276

SCHEMBL52276

CCOC(=O)c1nc2n(c(=O)c1O)CC1CCC2(NC(=O)OCc2ccccc2)CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OGFRL1 Q5TC84 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTSK P43235 5/20 0.34
▸ ADORA3 P0DMS8 3/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL13691434 0.93 ROCK2 (0.39) ROCK2F2PRSS1ADORA2AADORA1
SCHEMBL52246 0.88 HPGD (0.37) ROCK2ADORA2AADORA1OPRM1OPRD1
SCHEMBL51543 0.88 ROCK2 (0.38) ROCK2F2PRSS1ADORA2AADORA1
SCHEMBL63621 0.86 ROCK2 (0.38) ROCK2ADORA2AADORA1OPRM1OPRD1
SCHEMBL13691651 0.84 CTSK (0.33) F2PRSS1ADORA2AADORA1CTSK
SCHEMBL63287 0.84 KCNH2 (0.42) MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL62151 0.83 ADORA3 (0.37) ROCK2ADORA2AADORA1OPRM1OPRD1
SCHEMBL62817 0.83 ROCK2 (0.37) ROCK2ADORA2AADORA1OPRM1OPRD1
SCHEMBL87028 0.81 ATM (0.34) ADORA2AADORA1CTSKCTSBCTSS
SCHEMBL63519 0.81 OGFRL1 (0.41) ROCK2ADORA2AADORA1OPRM1OPRD1

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 9 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

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 ROCK2 1690/4885F2 3156/4885PRSS1 499/4885

“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.