SCHEMBL5052452

SCHEMBL5052452

Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.78
▸ PI4KA P42356 1/20 0.62
▸ PI4K2B Q8TCG2 1/20 0.62
▸ PI4K2A Q9BTU6 1/20 0.62
▸ PI4KB Q9UBF8 1/20 0.62
▸ P2RX3 P56373 3/20 0.59
▸ P2RX1 P51575 2/20 0.59
▸ P2RX4 Q99571 2/20 0.59
▸ AMD1 P17707 2/20 0.55
▸ ABCB1 P08183 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
SCHEMBL13662861 1.00 RXFP1 (0.78) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL11759931 0.91 RXFP1 (0.63) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL13926698 0.89 RXFP1 (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
Water SCHEMBL9941081 0.89 RXFP1 (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL15390016 0.88 RXFP1 (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4160501 0.88 RXFP1 (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4152356 0.88 RXFP1 (0.60) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2292456 0.88 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379249 0.88 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16351391 0.86 RXFP1 (0.58) RXFP1P2RX3P2RX4ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 — — US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 — — US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 — — 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
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-20070280946-A1 Antibody to 5' -Deoxy-5' - Methylthioadenosine And Uses Thereof QUARK PHARMACUTICALS, INC. 2007-12-06 — — US disclosed
US-20070280946-A1 Antibody to 5' -Deoxy-5' - Methylthioadenosine And Uses Thereof QUARK PHARMACUTICALS, INC. 2007-12-06 — — 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 (4 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-20070280946-A1 Antibody to 5' -Deoxy-5' - Methylthioadenosine And Uses Thereof MTAP, SRM, NT5C2 RXFP1 4751/4885PI4KA 4069/4885PI4K2B 4029/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT RXFP1 4531/4885PI4KA 1844/4885PI4K2B 1901/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT RXFP1 4531/4885PI4KA 1844/4885PI4K2B 1901/4885
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 4723/4885PI4KA 2879/4885PI4K2B 2005/4885

“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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