SCHEMBL15544220

SCHEMBL15544220

O=S(=O)(c1ccc(N=C=S)cc1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
PTPRZ1 P23471 1/20 0.45
P2RY6 Q15077 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MIF P14174 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 2/20 0.41
LTA P01374 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
P2RX3 P56373 2/20 0.41
RAD51 Q06609 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL10535760 0.83 CYP3A4 (0.44) CA1CA2PTPRZ1LMNAMAPK1
SCHEMBL15545121 0.80 MIF (0.41) CA1CA2PTPRZ1P2RY6MIF
SCHEMBL15606433 0.79 LMNA (0.46) CA1CA2PTPRZ1LMNAMAPK1
SCHEMBL6196292 0.79 CA1 (0.66) CA1CA2P2RY6LMNAMIF
SCHEMBL483832 0.78 CA1 (0.70) CA1CA2P2RY6LMNAMAPK1
SCHEMBL7051747 0.75 KIF11 (0.47) CA2PTPRZ1LMNAMAPK1HTT
SCHEMBL1476527 0.75 CA2 (1.00) CA1CA2P2RY6LMNAHTT
SCHEMBL31315339 0.75 CA1 (0.66) CA1CA2P2RY6LMNASMN1; SMN2
SCHEMBL668791 0.75 CA1 (0.66) CA1CA2P2RY6LMNASMN1; SMN2
SCHEMBL2891113 0.75 CA1 (0.66) CA1CA2P2RY6LMNAMIF

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives ALGIAX PHARMACEUTICALS GMBH (DE) 2019-11-12 US disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-3119744-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES Algiax Pharmaceuticals GmbH (DE) 2017-01-25 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
WO-2015140081-A1 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES ALGIAX PHARMACEUTICALS GMBH (DE) 2015-09-24 WO disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 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 (3 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-10472324-B2 2-cyano-3-cyclopropyl-3-hydroxy-N-aryl-thioacrylamide derivatives GABRA3, GABRA2, GABRB3 CA1 3079/4885CA2 1316/4885PTPRZ1 2916/4885
US-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA1 4813/4885CA2 4793/4885PTPRZ1 3009/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA1 4813/4885CA2 4793/4885PTPRZ1 3009/4885

“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.