SCHEMBL361329

SCHEMBL361329

CC(C)(C)OC(=O)COCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 5/20 0.42
NR1D1 P20393 1/20 0.41
GRM5 P41594 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HPGD P15428 1/20 0.40
NR4A2 P43354 1/20 0.40
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PPARA Q07869 1/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL21068996 0.85 PPARA (0.42) KMT2AMEN1L3MBTL1GRM5CTSS
SCHEMBL15270503 0.84 CACNA1B (0.42) KMT2AMEN1SMN1; SMN2MAOBCTSS
SCHEMBL21105498 0.84 PPARA (0.39) KMT2AMEN1L3MBTL1CTSSPPARA
SCHEMBL3110938 0.83 L3MBTL1 (0.49) L3MBTL1GRM5CTSSPPARA
SCHEMBL1904515 0.81 CYP17A1 (0.45) GRM5
SCHEMBL27394889 0.80 KDM4E (0.50) KMT2AMEN1SMN1; SMN2NR1D1CTSS
SCHEMBL21069146 0.79 PPARA (0.36) KMT2AMEN1L3MBTL1CTSSPPARA
SCHEMBL12526277 0.79 NR1D1 (0.49) MAOBNR1D1IDO1PPARAMAOA
SCHEMBL25231730 0.78 CACNA1B (0.41) KMT2ASMN1; SMN2L3MBTL1MAOBCTSS
SCHEMBL6077202 0.77 HPGD (0.47) KMT2AMEN1NR1D1CTSSCTSK

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
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
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 719/4885SMN1; SMN2 166/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 234/4885MEN1 719/4885SMN1; SMN2 166/4885

“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.