SCHEMBL17100804

SCHEMBL17100804

CCc1cc(NC(=S)/C(C#N)=C(/O)C2CC2)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.49
EPHX2 P34913 6/20 0.36
LMNA P02545 1/20 0.34
AR P10275 1/20 0.34
BRAF P15056 2/20 0.34
KDR P35968 2/20 0.34
TMPRSS4 Q9NRS4 1/20 0.33
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL17100844 0.87 DHODH (0.45) DHODH
SCHEMBL17100847 0.87 DHODH (0.45) DHODH
SCHEMBL21539519 0.86 DHODH (0.49) DHODHEPHX2ARBRAFKDR
SCHEMBL17100730 0.86 DHODH (0.49) DHODHEPHX2ARBRAFKDR
SCHEMBL17100691 0.84 DHODH (0.41) DHODHEPHX2LMNA
SCHEMBL17100688 0.84 DHODH (0.41) DHODHEPHX2LMNA
SCHEMBL17100798 0.84 DHODH (0.41) DHODHBRAFKDR
SCHEMBL17100801 0.84 DHODH (0.41) DHODHBRAFKDR
SCHEMBL17100941 0.80 DHODH (0.39) DHODHLMNAAR
SCHEMBL17100939 0.80 DHODH (0.39) DHODHLMNAAR

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 3129/4885EPHX2 2481/4885LMNA 2001/4885
US-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives GABRA3, GABRA2, GABRB3 DHODH 3129/4885EPHX2 2481/4885LMNA 2001/4885

“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.