SCHEMBL17100688

SCHEMBL17100688

CCc1cc(NC(=S)/C(C#N)=C(/O)C2CC2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.41
KMT2A Q03164 4/20 0.37
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
CYP3A4 P08684 1/20 0.36
USP30 Q70CQ3 1/20 0.36
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
EPHX2 P34913 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL17100691 1.00 DHODH (0.41) DHODHKMT2ANR1I2AHRALDH1A1
SCHEMBL17100844 0.87 DHODH (0.45) DHODHKMT2ANR1I2AHRALDH1A1
SCHEMBL17100847 0.87 DHODH (0.45) DHODHKMT2ANR1I2AHRALDH1A1
SCHEMBL17100801 0.86 DHODH (0.41) DHODHALDH1A1HTTNPC1RAB9A
SCHEMBL17100798 0.86 DHODH (0.41) DHODHALDH1A1HTTNPC1RAB9A
SCHEMBL9093979 0.86 MAPT (0.46) DHODHKMT2ANR1I2AHRALDH1A1
SCHEMBL8483298 0.86 MAPT (0.46) DHODHKMT2ANR1I2AHRALDH1A1
SCHEMBL17100761 0.85 TAS2R14 (0.42) DHODHKMT2ANR1I2AHRALDH1A1
SCHEMBL17100758 0.85 TAS2R14 (0.42) DHODHKMT2ANR1I2AHRALDH1A1
SCHEMBL17100804 0.84 DHODH (0.49) DHODHLMNAEPHX2

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 3129/4885KMT2A 1961/4885NR1I2 182/4885
US-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives GABRA3, GABRA2, GABRB3 DHODH 3129/4885KMT2A 1961/4885NR1I2 182/4885

“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.