SCHEMBL77452

SCHEMBL77452

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.51
ATAD2 Q6PL18 1/20 0.49
RAB9A P51151 6/20 0.48
NPC1 O15118 6/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 3/20 0.48
POLB P06746 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 4/20 0.46

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
SCHEMBL2441700 0.86 ATAD2 (0.40) CCR4ATAD2RAB9ANPC1ALDH1A1
SCHEMBL15899105 0.79 CCR4 (0.56) CCR4ATAD2RAB9ANPC1ALDH1A1
SCHEMBL10530431 0.79 CCR4 (0.56) CCR4ATAD2RAB9ANPC1ALDH1A1
SCHEMBL2608446 0.76 CCR4 (0.58) CCR4ATAD2RAB9ANPC1ALDH1A1
SCHEMBL2608443 0.75 CCR4 (0.56) CCR4ATAD2RAB9ANPC1ALDH1A1
SCHEMBL6860113 0.75
SCHEMBL2086725 0.75 CCR4 (0.56) CCR4ATAD2RAB9ANPC1ALDH1A1
SCHEMBL20788543 0.74 NPC1 (0.77) ATAD2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL31527765 0.74 CCR4 (0.51) CCR4ATAD2RAB9ANPC1ALDH1A1
SCHEMBL3790984 0.73 NPC1 (0.66) CCR4ATAD2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
EP-1812433-B1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS CANCER REC TECH LTD (GB) 2015-07-22 EP disclosed
WO-2012012307-A9 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
WO-2012012307-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 WO 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 (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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 CCR4 1191/4885ATAD2 2381/4885RAB9A 3465/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CCR4 4728/4885ATAD2 2949/4885RAB9A 1490/4885

“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.