SCHEMBL17505083

SCHEMBL17505083

CCn1nnn(/C=C\C(=O)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.42
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
INMT O95050 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
SCHEMBL17505097 1.00 NFE2L2 (0.42) NFE2L2NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL17505084 1.00 NFE2L2 (0.42) NFE2L2NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL17505127 0.83 NFE2L2 (0.44) NFE2L2
SCHEMBL17505128 0.83 NFE2L2 (0.44) NFE2L2
SCHEMBL17507280 0.83 NFE2L2 (0.64) NFE2L2NPC1
SCHEMBL17507307 0.83 NFE2L2 (0.64) NFE2L2NPC1
SCHEMBL17507283 0.81 NFE2L2 (0.48) NFE2L2
SCHEMBL17505114 0.81 NFE2L2 (0.45) NFE2L2SMN1; SMN2
SCHEMBL22005138 0.81 NFE2L2 (0.49) NFE2L2
SCHEMBL17505112 0.81 NFE2L2 (0.45) NFE2L2SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129819-B2 Fumarate analogs and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2021-09-28 US disclosed
US-20200155531-A1 Fumarate Analogs and Uses Thereof MIDCAP FINANCIAL TRUST 2020-05-21 US disclosed
US-20180071271-A1 Fumarate Analogs and Uses Thereof MIDCAP FINANCIAL TRUST 2018-03-15 US disclosed
US-9801866-B2 Fumarate analogs and uses thereof Rigl Pharmaceutical, Inc. (US) 2017-10-31 US disclosed
EP-3177599-A1 FUMARATE ANALOGS AND USES THEREOF IN THE TREATMENT OF AN AUTOIMMUNE DISEASE OR AN INFLAMMATORY DISEASE Rigel Pharmaceuticals, Inc. (US) 2017-06-14 EP disclosed
US-20170065569-A1 Fumarate Analogs and Uses Thereof MIDCAP FINANCIAL TRUST 2017-03-09 US disclosed
WO-2016022434-A1 FUMARATE ANALOGS AND USES THEREOF IN THE TREATMENT OF AN AUTOIMMUNE DISEASE OR AN INFLAMMATORY DISEASE RIGEL PHARMACEUTICALS, INC. (US) 2016-02-11 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 (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-20180071271-A1 Fumarate Analogs and Uses Thereof FH, GLS, FPGS NFE2L2 205/4885NPC1 3833/4885HPGD 114/4885
US-20200155531-A1 Fumarate Analogs and Uses Thereof FH, GLS, FPGS NFE2L2 205/4885NPC1 3833/4885HPGD 114/4885
US-11129819-B2 Fumarate analogs and uses thereof FH, GLS, FPGS NFE2L2 205/4885NPC1 3833/4885HPGD 114/4885
US-20170065569-A1 Fumarate Analogs and Uses Thereof FH, GLS, FPGS NFE2L2 205/4885NPC1 3833/4885HPGD 114/4885

“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.