SCHEMBL6095402

SCHEMBL6095402

CCOC(=O)c1nc(N2CCOCC2)n(C)c(=O)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MTOR P42345 7/20 0.47
DGAT1 O75907 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DPP4 P27487 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
PIK3CA P42336 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1671403 0.89 DPP4 (0.47) ALDH1A1KDM4EHSD17B10L3MBTL1DPP4
SCHEMBL6095057 0.89 DPP4 (0.43) ALDH1A1KDM4EHSD17B10DPP4HPGD
SCHEMBL6086680 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL5303358 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10L3MBTL1ALOX15
SCHEMBL6094216 0.87 EGFR (0.39) ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL6086561 0.87 TSHR (0.40) ALDH1A1KDM4EL3MBTL1HPGDGAA
SCHEMBL6094824 0.86 DCTPP1 (0.41) ALDH1A1KDM4EHTTL3MBTL1ALOX15
SCHEMBL6088848 0.86 PTPN11 (0.39) ALDH1A1KDM4EMTORL3MBTL1ALOX15
SCHEMBL6087390 0.84 PTPN11 (0.39) ALDH1A1KDM4EL3MBTL1HPGDGAA
SCHEMBL6086734 0.83 OPRM1 (0.42) ALDH1A1HSD17B10HPGDUSP2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 ALDH1A1 483/4885KDM4E 1484/4885MTOR 3264/4885

“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.