SCHEMBL5062575

SCHEMBL5062575

COC(=O)C1CC(SC(C)=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.42
▸ ANPEP P15144 3/20 0.42
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ P2RX3 P56373 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTRA1 Q92743 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL701488 1.00 MMP2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL5062574 1.00 MMP2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL7141767 1.00 MMP2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL7145405 0.86 HSD17B10 (0.39) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL17185925 0.86 MMP2 (0.41) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL25639774 0.86 MMP2 (0.41) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL17185928 0.86 MMP2 (0.41) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL699335 0.86 MMP2 (0.41) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL2023019 0.86 HSD17B10 (0.39) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL30571859 0.82 MMP2 (0.38) MMP2ANPEPNR1H2NR1H3PTPN1

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-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 — — US disclosed
EP-1844062-A2 INHIBITORS OF DNA METHYLTRANSFERASE Methylgene, Inc. (CA) 2007-10-17 — — EP disclosed
WO-2006078752-A2 INHIBITORS OF DNA METHYLTRANSFERASE METHYLGENE, INC. (CA) 2006-07-27 — — 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-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid DNMT3B, DNMT1, DNMT3L MMP2 3461/4885ANPEP 3658/4885NR1H2 2576/4885

“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.

Send feedback