SCHEMBL3133785

SCHEMBL3133785

CCOC(=O)c1sc(N(C)C)c(C#N)c1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.78
ATG4B Q9Y4P1 1/20 0.78
GRIA2 P42262 1/20 0.55
GRIA4 P48058 1/20 0.55
FNTA P49354 12/20 0.53
FNTB P49356 12/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CDC7 O00311 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
DBF4 Q9UBU7 1/20 0.45

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
SCHEMBL3128708 0.88 PLA2G1B (0.61) PLA2G1BATG4BGRIA2GRIA4FNTA
SCHEMBL3137792 0.88 PLA2G1B (0.61) PLA2G1BATG4BGRIA2GRIA4FNTA
SCHEMBL2681861 0.82 GRIA4 (0.67) PLA2G1BATG4BGRIA2GRIA4FNTA
SCHEMBL2680927 0.80 GRIA2 (0.56) PLA2G1BATG4BGRIA2GRIA4FNTA
SCHEMBL3139516 0.79 L3MBTL1 (0.49) PLA2G1BATG4BGRIA2GRIA4FNTA
SCHEMBL8281983 0.77 FNTA (0.53) PLA2G1BATG4BFNTAFNTBALDH1A1
SCHEMBL13522748 0.76 FNTA (0.61) PLA2G1BATG4BGRIA2GRIA4FNTA
SCHEMBL3138552 0.76 GRIA4 (0.57) PLA2G1BATG4BGRIA2GRIA4FNTA
SCHEMBL13597876 0.75 PLA2G1B (0.56) PLA2G1BATG4BGRIA2GRIA4FNTA
SCHEMBL2681570 0.74 FNTA (0.53) PLA2G1BATG4BGRIA4FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 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 (1 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-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT PLA2G1B 3668/4885ATG4B 1274/4885GRIA2 57/4885

“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.