SCHEMBL12417860

SCHEMBL12417860

CC(C)(C)OC(=O)N(CCNC(=O)OCC[Si](C)(C)C)CCNC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.44
SYK P43405 1/20 0.44
IDO1 P14902 1/20 0.43
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
BACE1 P56817 2/20 0.41
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL15613005 0.91 SMN1; SMN2 (0.55) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL17190637 0.87 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL34475270 0.87 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL2189134 0.86 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL10521902 0.84 HTT (0.51) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL15716592 0.84 SYK (0.55) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL31421118 0.84 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL3485350 0.84 SMN1; SMN2 (0.66) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL9554886 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL20450598 0.82 HTT (0.46) SMN1; SMN2LMNAMAPTL3MBTL1HTT

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
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-9289503-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-22 US disclosed
US-9289503-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-22 US disclosed
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2015-08-27 US disclosed
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2015-08-27 US disclosed
US-8969354-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-8969354-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 US disclosed
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-07-14 US 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 (4 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-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 SMN1; SMN2 377/4885LMNA 2735/4885MAPT 253/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 SMN1; SMN2 377/4885LMNA 2735/4885MAPT 253/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 SMN1; SMN2 377/4885LMNA 2735/4885MAPT 253/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 SMN1; SMN2 377/4885LMNA 2735/4885MAPT 253/4885

“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.