SCHEMBL17100808

SCHEMBL17100808

Cc1cc(NC(=S)C(C#N)=C(O)C2CC2)ccc1[S+]([O-])C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17100806 1.00 DHODH (0.43) DHODHALDH1A1MAPTALOX12HTT
SCHEMBL17100904 0.83 DHODH (0.50) DHODHALDH1A1MAPTGAASMN1; SMN2
SCHEMBL17100901 0.83 DHODH (0.50) DHODHALDH1A1MAPTGAASMN1; SMN2
SCHEMBL17100730 0.82 DHODH (0.49) DHODHALDH1A1MAPTALOX12HTT
SCHEMBL21539519 0.82 DHODH (0.49) DHODHALDH1A1MAPTALOX12HTT
SCHEMBL17100822 0.81 DHODH (0.44) DHODHALDH1A1MAPTALOX12HTT
SCHEMBL21224536 0.81 DHODH (0.44) DHODHALDH1A1MAPTALOX12HTT
SCHEMBL17100824 0.81 DHODH (0.44) DHODHALDH1A1MAPTALOX12HTT
SCHEMBL25134546 0.81 RAB9A (0.46) DHODHALDH1A1MAPTHTTRAB9A
SCHEMBL17100851 0.79 DHODH (0.44) DHODHALDH1A1MAPTALOX12HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088513-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES ALGIAX PHARMACEUTICALS GMBH (DE) 2017-03-30 US claimed
EP-3119744-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES Algiax Pharmaceuticals GmbH (DE) 2017-01-25 EP claimed
WO-2015140081-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES ALGIAX PHARMACEUTICALS GMBH (DE) 2015-09-24 WO claimed
US-12161695-B2 GABA A receptor agonists for treatment of disorders influenced by dysfunction BETA cells DIAMYD MEDICAL AB (SE) 2024-12-10 US disclosed
US-20210113586-A1 NEW USE AND METHODS OF MODULATING IMMUNE RESPONSES DIAMYD MEDICAL AB (SE) 2021-04-22 US disclosed
EP-3756007-A1 NEW USE AND METHODS OF MODULATING IMMUNE RESPONSES Diamyd Medical AB (SE) 2020-12-30 EP disclosed
US-20200384086-A1 GABA A RECEPTOR AGONISTS FOR TREATMENT OF DISORDERS INFLUENCED BY DYSFUNCTION BETA CELLS DIAMYD MEDICAL AB (SE) 2020-12-10 US disclosed
US-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives ALGIAX PHARMACEUTICALS GMBH (DE) 2019-11-12 US disclosed
WO-2019164446-A1 NEW USE AND METHODS OF MODULATING IMMUNE RESPONSES DIAMYD MEDICAL AB (SE) 2019-08-29 WO disclosed
US-20170088513-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES ALGIAX PHARMACEUTICALS GMBH (DE) 2017-03-30 US disclosed
EP-3119744-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES Algiax Pharmaceuticals GmbH (DE) 2017-01-25 EP disclosed
WO-2015140081-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES ALGIAX PHARMACEUTICALS GMBH (DE) 2015-09-24 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 (2 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-20170088513-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES GABRA3, GABRA2, GABRB3 DHODH 3129/4885ALDH1A1 1076/4885MAPT 599/4885
US-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives GABRA3, GABRA2, GABRB3 DHODH 3129/4885ALDH1A1 1076/4885MAPT 599/4885

“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.