Sugi Predict

Sugi Predict / Compounds / SCHEMBL51826

SCHEMBL51826

SCHEMBL51826

CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(OCCOC(=O)c2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGFRL1 Q5TC84 7/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ OPRM1 P35372 5/20 0.34
▸ OPRK1 P41145 5/20 0.34
▸ OPRD1 P41143 4/20 0.34
▸ MTOR P42345 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PKM P14618 1/20 0.32

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
SCHEMBL61874 0.85 ALDH1A1 (0.37) OGFRL1KMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL51511 0.84 ALDH1A1 (0.37) OGFRL1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL62985 0.84 OGFRL1 (0.36) OGFRL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL52078 0.83 OGFRL1 (0.36) OGFRL1KMT2AMEN1BLMSMN1; SMN2
Hydrochloric Acid SCHEMBL51522 0.83 OGFRL1 (0.36) OGFRL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL52083 0.81 HPGD (0.38) OGFRL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL51693 0.80 ALDH1A1 (0.38) OGFRL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL13657326 0.80 OGFRL1 (0.34) OGFRL1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL51907 0.80 ALDH1A1 (0.35) OGFRL1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL51812 0.79 HPGD (0.35) OGFRL1KMT2AMEN1SMN1; SMN2LMNA

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 OGFRL1 3981/4885KMT2A 1339/4885MEN1 4650/4885

“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.