SCHEMBL7609811

SCHEMBL7609811

CCOC(=O)CC[C@H](NC(=O)c1ccc(NCCSc2cnc(N)n(N)c2=O)cc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DHFR P00374 3/20 0.42
CYP26A1 O43174 1/20 0.38
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL7609490 0.78 GART (0.55) DHFR
SCHEMBL10829010 0.75 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9817714 0.75 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9555839 0.74 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9555837 0.74 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9556359 0.73 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10828953 0.73 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27584197 0.72 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1143549 0.71 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8320541 0.71 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2002-11-21 US disclosed
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2001-08-30 US disclosed
US-6207670-B1 USE TO INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICROORGANISMS SUCH AS BACTERIA, YEAST AND FUNGI AGOURON PHARMACEUTICALS, INC. 2001-03-27 US disclosed
EP-0674516-B1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMA (US) 2000-02-02 EP 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 (2 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-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 L3MBTL1 1365/4885KDM4E 1080/4885ALDH1A1 250/4885
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 L3MBTL1 1365/4885KDM4E 1080/4885ALDH1A1 250/4885

“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.