SCHEMBL17100883

SCHEMBL17100883

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
ALDH1A1 P00352 1/20 0.32
KIF11 P52732 1/20 0.30
KCNK2 O95069 2/20 0.30
KCNK10 P57789 2/20 0.30
CHRM4 P08173 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17100897 0.80 DHODH (0.39) DHODHALDH1A1MEN1MAPTKMT2A
SCHEMBL17100734 0.80 DHODH (0.39) DHODHMEN1MAPTKMT2A
SCHEMBL17100903 0.80 DHODH (0.41) DHODH
SCHEMBL17100731 0.76 DHODH (0.42) DHODHMEN1MAPTKMT2A
SCHEMBL28237511 0.76 DHODH (0.52) DHODHALDH1A1KIF11KCNK2KCNK10
SCHEMBL17100805 0.75 DHODH (0.41) DHODHALDH1A1MAPT
SCHEMBL17100823 0.74 DHODH (0.37) DHODHMEN1MAPTKMT2A
SCHEMBL17100845 0.73 DHODH (0.36) DHODHMEN1MAPTKMT2A
SCHEMBL17100807 0.73 DHODH (0.37) DHODH
SCHEMBL17100863 0.72 DHODH (0.35) DHODHALDH1A1MEN1MAPTKMT2A

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 3129/4885ALDH1A1 1076/4885KIF11 1769/4885
US-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives GABRA3, GABRA2, GABRB3 DHODH 3129/4885ALDH1A1 1076/4885KIF11 1769/4885

“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.