SCHEMBL9936846

SCHEMBL9936846

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN(CCCCC(=O)O)S(C)(=O)=O)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
RXFP1 Q9HBX9 1/20 0.59
P2RX1 P51575 1/20 0.53
P2RX3 P56373 1/20 0.53
P2RX4 Q99571 1/20 0.53
GNMT Q14749 1/20 0.49
AMD1 P17707 3/20 0.48
PRKACA P17612 1/20 0.48
EZH2 Q15910 1/20 0.46
DOT1L Q8TEK3 1/20 0.45
SMYD3 Q9H7B4 2/20 0.44
SETD2 Q9BYW2 1/20 0.44
TRDMT1 O14717 1/20 0.44

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
SCHEMBL9940379 0.92 RXFP1 (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970183 0.90 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16705109 0.90 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970658 0.89 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936622 0.89 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395711 0.87 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13662863 0.87 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940655 0.84 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940627 0.84 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395697 0.82 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1

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 11 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
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-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 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-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 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 (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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT PI4KA 1844/4885PI4K2B 1901/4885PI4K2A 1942/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT PI4KA 1844/4885PI4K2B 1901/4885PI4K2A 1942/4885

“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.