SCHEMBL77851

SCHEMBL77851

CC(C)C(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.62
ATAD2 Q6PL18 1/20 0.58
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 3/20 0.57
POLB P06746 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.55

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
SCHEMBL9891920 0.86 FFAR2 (0.63) FFAR2ATAD2NPC1RAB9AKMT2A
SCHEMBL1621027 0.84 FFAR2 (0.56) FFAR2ATAD2NPC1RAB9AKMT2A
SCHEMBL20788543 0.83 NPC1 (0.77) FFAR2ATAD2NPC1RAB9AKMT2A
SCHEMBL10078890 0.83 NPC1 (0.63) FFAR2ATAD2NPC1RAB9AKMT2A
SCHEMBL1619444 0.82 FFAR2 (0.57) FFAR2ATAD2NPC1RAB9AKMT2A
SCHEMBL3790984 0.81 NPC1 (0.66) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL2608447 0.81 ATAD2 (0.63) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL77898 0.80 ALDH1A1 (0.60) FFAR2ATAD2NPC1RAB9AKMT2A
SCHEMBL6475970 0.80 ATAD2 (0.61) FFAR2ATAD2NPC1RAB9AKMT2A
SCHEMBL77451 0.80 ATAD2 (0.61) ATAD2NPC1RAB9AKMT2AALDH1A1

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US 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-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 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 FFAR2 2884/4885ATAD2 2381/4885NPC1 3856/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 FFAR2 190/4885ATAD2 2417/4885NPC1 1904/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 FFAR2 2900/4885ATAD2 2466/4885NPC1 3836/4885

“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.