SCHEMBL4152356

SCHEMBL4152356

Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.60
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ ADORA3 P0DMS8 4/20 0.48
▸ P2RX1 P51575 1/20 0.48
▸ P2RX3 P56373 1/20 0.48
▸ P2RX4 Q99571 1/20 0.48
▸ NT5E P21589 7/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ SARS1 P49591 1/20 0.46
▸ PDE2A O00408 1/20 0.46
▸ IARS1 P41252 1/20 0.46

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
SCHEMBL13926698 0.92 RXFP1 (0.61) RXFP1CA1CA2CA4CA9
SCHEMBL4160501 0.90 RXFP1 (0.62) RXFP1CA1CA2CA4CA9
SCHEMBL13099188 0.89 RXFP1 (0.58) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL13662861 0.88 RXFP1 (0.78) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL5052452 0.88 RXFP1 (0.78) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL8818666 0.86 RXFP1 (0.47) RXFP1ADORA1
SCHEMBL572479 0.84 RXFP1 (0.60) RXFP1CA1CA2CA4CA9
Water SCHEMBL9941081 0.84 RXFP1 (0.61) RXFP1P2RX1P2RX3P2RX4ADORA1
SCHEMBL22498863 0.83 NT5E (0.67) CA1CA2CA4CA9ADORA3
SCHEMBL29390167 0.83 NT5E (0.67) CA1CA2CA4CA9ADORA3

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
US-8633168-B2 Inhibitors of S-adenosyl-L-methionine decarboxylase GENZYME CORPORATION (US) 2014-01-21 — — US disclosed
US-8633168-B2 Inhibitors of S-adenosyl-L-methionine decarboxylase GENZYME CORPORATION (US) 2014-01-21 — — US disclosed
US-20100261668-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE GENZYME CORPORATION 2010-10-14 — — US disclosed
US-20100261668-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE GENZYME CORPORATION 2010-10-14 — — US disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 RXFP1 2979/4885CA1 4418/4885CA2 2974/4885
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 RXFP1 4723/4885CA1 4093/4885CA2 3063/4885
US-20100261668-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE AMD1, MAT1A, AHCY RXFP1 4642/4885CA1 4755/4885CA2 4243/4885

“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.

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