Fumaric Acid

Fumaric Acid

SCHEMBL1464346

COc1ncccc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C)cc21.O=C(O)/C=C/C(=O)O

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 19/20 0.63
AVPR1A P37288 10/20 0.63
OXTR P30559 9/20 0.63
AVPR2 P30518 3/20 0.63
GPR65 Q8IYL9 1/20 0.52
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
Fumaric Acid SCHEMBL1464349 1.00 AVPR1B (0.63) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1466519 0.93 AVPR1B (0.62) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1466516 0.93 AVPR1B (0.62) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1466195 0.93 AVPR1B (0.70) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1466197 0.93 AVPR1B (0.70) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1465076 0.91 AVPR1B (0.61) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1465072 0.91 AVPR1B (0.61) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1465015 0.91 AVPR1B (0.60) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1465019 0.91 AVPR1B (0.60) AVPR1BAVPR1AOXTRAVPR2GPR65
Fumaric Acid SCHEMBL1464972 0.89 AVPR1B (0.81) AVPR1BAVPR1AOXTRAVPR2GPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050959-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2017-02-23 US disclosed
US-9487505-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-08 US disclosed
EP-1667993-B1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2015-07-01 EP disclosed
US-20140187543-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-03 US disclosed
US-8580842-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2013-11-12 US disclosed
EP-2546250-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
EP-2546251-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
EP-2546252-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
US-8350055-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2013-01-08 US disclosed
US-20110077241-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBOTT GMBH & CO. KG (DE) 2011-03-31 US disclosed
US-20110071156-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBOTT GMBH & CO. KG (DE) 2011-03-24 US disclosed
US-7902379-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2011-03-08 US disclosed
US-20070185126-A1 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing Them AbbVie Deutschland GmbH & Co. KG (DE) 2007-08-09 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-20110071156-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885AVPR1A 3/4885OXTR 1/4885
US-20140187543-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885AVPR1A 3/4885OXTR 1/4885
US-20070185126-A1 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing Them OXTR, AVPR2, AVPR1A AVPR1B 4/4885AVPR1A 3/4885OXTR 1/4885
US-20110077241-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885AVPR1A 3/4885OXTR 1/4885
US-20170050959-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885AVPR1A 3/4885OXTR 1/4885

“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.