SCHEMBL17100897

SCHEMBL17100897

N#CC(C(=O)N(S)c1ccc(C#N)cc1)=C(O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
KDM1A O60341 1/20 0.34
PDK2 Q15119 1/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
PAX8 Q06710 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
GSK3B P49841 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
PGR P06401 2/20 0.32
UBE2N P61088 1/20 0.32
EPHX1 P07099 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL17100734 0.86 DHODH (0.39) DHODHKMT2AMEN1MAPT
SCHEMBL17100883 0.80 DHODH (0.42) DHODHKMT2AMEN1MAPTALDH1A1
SCHEMBL17100863 0.80 DHODH (0.35) DHODHKMT2AKDM4ENPC1MEN1
SCHEMBL17100903 0.78 DHODH (0.41) DHODH
SCHEMBL17100800 0.78 NPC1 (0.35) DHODHKMT2ANPC1MEN1RAB9A
SCHEMBL17100823 0.78 DHODH (0.37) DHODHKMT2AMEN1MAPT
SCHEMBL17100845 0.76 DHODH (0.36) DHODHKMT2AMEN1MAPT
SCHEMBL17100690 0.76 PGR (0.35) DHODHKMT2AKDM4ENPC1MEN1
SCHEMBL17100731 0.75 DHODH (0.42) DHODHKMT2AMEN1MAPT
SCHEMBL17100998 0.75 MAPT (0.44) DHODHKMT2AKDM4ENPC1MEN1

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-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-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives ALGIAX PHARMACEUTICALS GMBH (DE) 2019-11-12 US 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 3129/4885KDM1A 3371/4885PDK2 2718/4885
US-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives GABRA3, GABRA2, GABRB3 DHODH 3129/4885KDM1A 3371/4885PDK2 2718/4885

“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.