SCHEMBL2193039

SCHEMBL2193039

COC(=O)/C=C/C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PARP14 Q460N5 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GPX4 P36969 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ EPHX2 P34913 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40

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
SCHEMBL2193042 1.00 ALDH1A1 (0.51) ALDH1A1HTTMAPTPARP14SMN1; SMN2
SCHEMBL23823741 0.84 USP2 (0.45) ALDH1A1SMN1; SMN2USP2EPHX2EPHX1
SCHEMBL30418583 0.79 USP2 (0.43) ALDH1A1HTTMAPTSMN1; SMN2USP2
SCHEMBL16090965 0.79 ALDH1A1 (0.40) ALDH1A1HTTMAPTSMN1; SMN2USP2
SCHEMBL334091 0.79 USP2 (0.60) ALDH1A1HTTMAPTSMN1; SMN2USP2
SCHEMBL18294 0.78 USP2 (0.69) ALDH1A1HTTMAPTSMN1; SMN2USP2
SCHEMBL698803 0.78 USP2 (0.69) ALDH1A1HTTMAPTSMN1; SMN2USP2
SCHEMBL3356491 0.78 USP2 (0.55) SMN1; SMN2USP2EPHX2EPHX1HPGD
SCHEMBL2189172 0.78 ALDH1A1 (0.62) ALDH1A1HTTMAPTSMN1; SMN2GPX4
SCHEMBL2189175 0.78 ALDH1A1 (0.62) ALDH1A1HTTMAPTSMN1; SMN2GPX4

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-2521447-B1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-06-14 — — EP 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-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
EP-2521447-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2012-11-14 — — EP disclosed
WO-2011085211-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO 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 ALDH1A1 972/4885HTT 199/4885MAPT 253/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885HTT 199/4885MAPT 253/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885HTT 199/4885MAPT 253/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885HTT 199/4885MAPT 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.

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