SCHEMBL369096

SCHEMBL369096

CCOC(=O)C(C)c1cn(C(=O)OC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.40
NTRK1 P04629 1/20 0.39
NR4A2 P43354 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL17102820 0.89 KMT2A (0.57) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL28203274 0.87 LMNA (0.45) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL7454499 0.81 KDM4E (0.53) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL25309481 0.79 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL25866702 0.79 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL29651318 0.79 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL27920571 0.78 KMT2A (0.50) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL8076273 0.77 KMT2A (0.67) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL15747728 0.77 KMT2A (0.47) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL15747726 0.77 KMT2A (0.49) KMT2AMEN1L3MBTL1MAPTALDH1A1

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
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
CN-103097340-A Therapeutically active compositions and methods of use thereof AGIOS PHARMACEUTICALS INC 2013-05-08 CN disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 234/4885MEN1 719/4885L3MBTL1 1083/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 234/4885MEN1 719/4885L3MBTL1 1083/4885

“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.