SCHEMBL17100758

SCHEMBL17100758

Cc1cc(NC(=S)/C(C#N)=C(/O)C2CC2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.42
DHODH Q02127 2/20 0.41
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 4/20 0.36
GAA P10253 3/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL17100761 1.00 TAS2R14 (0.42) TAS2R14DHODHKMT2AMAPTMEN1
SCHEMBL9093979 0.89 MAPT (0.46) DHODHKMT2AMAPTMEN1NPSR1
SCHEMBL8483298 0.89 MAPT (0.46) DHODHKMT2AMAPTMEN1NPSR1
SCHEMBL25134546 0.89 RAB9A (0.46) DHODHKMT2AMAPTMEN1NPC1
SCHEMBL21224536 0.86 DHODH (0.44) DHODHKMT2AMAPTMEN1NPSR1
SCHEMBL17100822 0.86 DHODH (0.44) DHODHKMT2AMAPTMEN1NPSR1
SCHEMBL17100824 0.86 DHODH (0.44) DHODHKMT2AMAPTMEN1NPSR1
SCHEMBL17100865 0.85 DHODH (0.41) DHODHMAPTNPSR1BLMNPC1
SCHEMBL17100862 0.85 DHODH (0.41) DHODHMAPTNPSR1BLMNPC1
SCHEMBL17100688 0.85 DHODH (0.41) TAS2R14DHODHKMT2AMAPTMEN1

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-3755314-A1 GABA A RECEPTOR AGONISTS FOR TREATMENT OF DISORDERS INFLUENCED BY DYSFUNCTION BETA CELLS 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-2019162403-A1 GABA A RECEPTOR AGONISTS FOR TREATMENT OF DISORDERS INFLUENCED BY DYSFUNCTION BETA CELLS 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 TAS2R14 944/4885DHODH 3129/4885KMT2A 1961/4885
US-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives GABRA3, GABRA2, GABRB3 TAS2R14 944/4885DHODH 3129/4885KMT2A 1961/4885

“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.