SCHEMBL78747

SCHEMBL78747

CC(C)(C)c1csc(NC(=O)C2CCCC2)n1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.94
RAB9A P51151 10/20 0.65
SMN1; SMN2 Q16637 4/20 0.54
CNR2 P34972 1/20 0.54
NPC1 O15118 8/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL10078877 0.99 ATAD2 (0.92) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL16771556 0.97 ATAD2 (1.00) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL77715 0.94 ATAD2 (0.89) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL27149772 0.87 ATAD2 (0.78) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL14047503 0.82 ATAD2 (0.70) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL10078899 0.82 ATAD2 (0.65) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL10078905 0.81 ATAD2 (0.64) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL9892888 0.80 ATAD2 (0.67) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL2571465 0.80 ATAD2 (0.66) ATAD2RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL20788543 0.79 NPC1 (0.77) ATAD2RAB9ASMN1; SMN2NPC1ALDH1A1

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
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 WO disclosed
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 WO disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 ATAD2 2381/4885RAB9A 3465/4885SMN1; SMN2 4339/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 ATAD2 2631/4885RAB9A 3267/4885SMN1; SMN2 4458/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 ATAD2 2466/4885RAB9A 3411/4885SMN1; SMN2 4328/4885

“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.