SCHEMBL15344653

SCHEMBL15344653

O=C(O)C#C/C=C/C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
HCAR2 Q8TDS4 3/20 0.35
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL15344654 1.00 TSHR (0.42) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL18613105 0.74 HCAR2 (0.48) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL12282953 0.72
Maleic Acid SCHEMBL161203 0.67
Fumaric Acid SCHEMBL187959 0.67
SCHEMBL1257748 0.67
SCHEMBL11803247 0.67
SCHEMBL16792413 0.67
SCHEMBL2440721 0.67
SCHEMBL16777471 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289104-A1 ALIPHATIC AMINO ACID BIOSYNTHESIS INHIBITORS AND A METHOD OF SYNTHESIZING THE SAME Sardari, Soroush (IR) 2013-10-31 US claimed
US-8569361-B1 Aliphatic amino acid biosynthesis inhibitors and a method of synthesizing the same SARDARI SOROUSH (IR) 2013-10-29 US claimed
US-11129819-B2 Fumarate analogs and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2021-09-28 US disclosed
CN-106573901-B Fumarate analogues and their use in the treatment of autoimmune or inflammatory diseases 参宿七制药股份有限公司 2021-03-02 CN 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
US-20170174922-A1 CONDUCTIVE MATERIAL AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-22 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-20170130071-A1 CONDUCTIVE MATERIAL AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-11 US disclosed
US-20170130070-A1 CONDUCTIVE MATERIAL AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-11 US disclosed
US-20170065569-A1 Fumarate Analogs and Uses Thereof MIDCAP FINANCIAL TRUST 2017-03-09 US disclosed
US-9360753-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-07 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
US-9164383-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-10-20 US disclosed
US-20130289104-A1 ALIPHATIC AMINO ACID BIOSYNTHESIS INHIBITORS AND A METHOD OF SYNTHESIZING THE SAME Sardari, Soroush (IR) 2013-10-31 US disclosed
US-8569361-B1 Aliphatic amino acid biosynthesis inhibitors and a method of synthesizing the same SARDARI SOROUSH (IR) 2013-10-29 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 (5 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 TSHR 4654/4885TP53 570/4885EGLN1 946/4885
US-20130289104-A1 ALIPHATIC AMINO ACID BIOSYNTHESIS INHIBITORS AND A METHOD OF SYNTHESIZING THE SAME DDC, BCAT2, BCAT1 TSHR 3516/4885TP53 3528/4885EGLN1 1341/4885
US-20200155531-A1 Fumarate Analogs and Uses Thereof FH, GLS, FPGS TSHR 4654/4885TP53 570/4885EGLN1 946/4885
US-11129819-B2 Fumarate analogs and uses thereof FH, GLS, FPGS TSHR 4654/4885TP53 570/4885EGLN1 946/4885
US-20170065569-A1 Fumarate Analogs and Uses Thereof FH, GLS, FPGS TSHR 4654/4885TP53 570/4885EGLN1 946/4885

“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.