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SCHEMBL51812

SCHEMBL51812

CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ TLR2 O60603 2/20 0.34
▸ ADORA3 P0DMS8 5/20 0.33
▸ OGFRL1 Q5TC84 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL61903 0.95 ROCK2 (0.36) HPGDROCK2RORCTLR2ADORA3
SCHEMBL9905086 0.91 HPGD (0.39) HPGDROCK2RORCADORA3ADORA2A
SCHEMBL63283 0.89 RORC (0.34) HPGDRORCTLR2TSHRMEN1
SCHEMBL16130200 0.88 TLR2 (0.38) HPGDROCK2RORCTLR2ADORA3
SCHEMBL52246 0.88 HPGD (0.37) HPGDROCK2RORCADORA3OGFRL1
SCHEMBL62985 0.88 OGFRL1 (0.36) HPGDOGFRL1KDM4ETSHRMEN1
SCHEMBL13657326 0.87 OGFRL1 (0.34) HPGDOGFRL1KDM4ETSHRLMNA
Hydrochloric Acid SCHEMBL51522 0.87 OGFRL1 (0.36) HPGDOGFRL1KDM4ETSHRMEN1
SCHEMBL52078 0.87 OGFRL1 (0.36) HPGDOGFRL1KDM4ETSHRMEN1
SCHEMBL51508 0.86 OGFRL1 (0.33) OGFRL1TSHRLMNAKMT2ASMN1; SMN2

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
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
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
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 HPGD 1406/4885ROCK2 1690/4885RORC 1817/4885

“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.