SCHEMBL12417734

SCHEMBL12417734

C/C=C/C(=O)NCCOCCN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ APEX1 P27695 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TLR2 O60603 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30

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
SCHEMBL12417750 0.98 KMT2A (0.41) PYGLSMN1; SMN2KMT2AMEN1APEX1
SCHEMBL2191258 0.83 GFPT1 (0.47) PYGLSMN1; SMN2KMT2AMEN1HPGD
SCHEMBL2191262 0.83 GFPT1 (0.47) PYGLSMN1; SMN2KMT2AMEN1HPGD
SCHEMBL25207949 0.82 HPGD (0.43) PYGLSMN1; SMN2KMT2AMEN1APEX1
SCHEMBL14771205 0.81 GFPT1 (0.46) PYGLSMN1; SMN2KMT2AMEN1HPGD
SCHEMBL109850 0.81 — —
SCHEMBL21049696 0.81 — —
SCHEMBL20586424 0.78 APEX1 (0.42) PYGLSMN1; SMN2KMT2AMEN1APEX1
SCHEMBL10024759 0.78 ALDH1A1 (0.45) PYGLSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL21049693 0.77 PAOX (0.45) SMN1; SMN2KMT2AAPEX1LMNAALDH1A1

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 6 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-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-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 PYGL 887/4885SMN1; SMN2 377/4885KMT2A 1494/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 PYGL 887/4885SMN1; SMN2 377/4885KMT2A 1494/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 PYGL 887/4885SMN1; SMN2 377/4885KMT2A 1494/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 PYGL 887/4885SMN1; SMN2 377/4885KMT2A 1494/4885

“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.

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