SCHEMBL931999

SCHEMBL931999

CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
USP2 O75604 1/20 0.62
GAA P10253 1/20 0.62
POLB P06746 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 1/20 0.57
ME2 P23368 1/20 0.56
ME1 P48163 1/20 0.56
ME3 Q16798 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL29613561 0.87 GAA (0.55) MEN1KMT2AUSP2GAAPOLB
SCHEMBL29129166 0.87 GAA (0.55) MEN1KMT2AUSP2GAAPOLB
SCHEMBL19143918 0.86 KMT2A (0.52) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL172099 0.86 POLB (0.64) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL10721826 0.85 MEN1 (1.00) MEN1KMT2AUSP2GAAPOLB
SCHEMBL3216431 0.85 GAA (0.53) MEN1KMT2AUSP2GAAPOLB
SCHEMBL30257328 0.85 GAA (0.53) MEN1KMT2AUSP2GAAPOLB
SCHEMBL2616222 0.85 FKBP1A (0.65) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL15172585 0.84 ALDH1A1 (0.63) MEN1KMT2APOLBL3MBTL1KDM4E
SCHEMBL29129121 0.83 GAA (0.54) MEN1KMT2AGAAPOLBL3MBTL1

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-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 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 (1 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 MEN1 3936/4885KMT2A 880/4885USP2 3122/4885

“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.