SCHEMBL10158993

SCHEMBL10158993

CCC(C)CN1C(=O)CC(=O)N(CC(C)CC)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CTRC Q99895 1/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PIK3CD O00329 1/20 0.31

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
SCHEMBL3419077 0.80 GAA (0.47) ALDH1A1F2ELANECTSGCTRC
SCHEMBL18400785 0.78 MEN1 (0.40) ALDH1A1GAATDP1MEN1KMT2A
SCHEMBL9082537 0.77 GAA (0.38) ALDH1A1F2ELANECTSGCTRC
SCHEMBL141302 0.72 F2 (0.63) ALDH1A1F2ELANECTSGCTRC
SCHEMBL5272376 0.72 CHRM2 (0.41) ALDH1A1F2ELANECTSGCTRC
SCHEMBL12148577 0.70 GAA (0.50) ALDH1A1GAATDP1MEN1USP2
SCHEMBL3831786 0.70 F2 (0.60) ALDH1A1F2ELANECTSGCTRC
SCHEMBL21996053 0.70 F2 (0.60) ALDH1A1F2ELANECTSGCTRC
Hydrochloric Acid SCHEMBL8590266 0.70 F2 (0.60) ALDH1A1F2ELANECTSGCTRC
SCHEMBL3482369 0.70 MGLL (0.52) ALDH1A1TDP1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144299-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Cambria Pharmaceuticals, Inc. (US) 2017-03-22 EP disclosed
US-9499494-B2 Pyrimidine-2,4,6-triones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2016-11-22 US disclosed
US-9499494-B2 Pyrimidine-2,4,6-triones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2016-11-22 US disclosed
EP-2427438-B1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS INC (US) 2016-10-12 EP disclosed
US-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2015-07-23 US disclosed
US-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2015-07-23 US disclosed
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NORTHWESTERN UNIVERSITY (US) 2012-02-23 US disclosed
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NORTHWESTERN UNIVERSITY (US) 2012-02-23 US disclosed
WO-2010129665-A2 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2010-11-11 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-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 ALDH1A1 3417/4885F2 2484/4885ELANE 3441/4885
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 ALDH1A1 3417/4885F2 2484/4885ELANE 3441/4885

“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.