SCHEMBL3138552

SCHEMBL3138552

CCOC(=O)c1sc(N(C)CCN(C)C)c(C#N)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 9/20 0.57
GRIA2 P42262 5/20 0.57
FNTA P49354 9/20 0.48
FNTB P49356 9/20 0.48
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3136002 0.87 GRIA4 (0.76) GRIA4GRIA2FNTAFNTBPLA2G1B
SCHEMBL3137856 0.80 GRIA4 (0.75) GRIA4GRIA2FNTAFNTBKDM4E
SCHEMBL3138457 0.79 GRIA4 (0.71) GRIA4GRIA2FNTAFNTB
SCHEMBL3138042 0.79 GRIA4 (0.71) GRIA4GRIA2FNTAFNTBKDM4E
SCHEMBL3135113 0.79 GRIA4 (0.77) GRIA4GRIA2FNTAFNTB
SCHEMBL3131105 0.79 GRIA4 (0.76) GRIA4GRIA2FNTAFNTB
SCHEMBL3131141 0.78 GRIA4 (0.72) GRIA4GRIA2FNTAFNTBKDM4E
SCHEMBL3139252 0.77 FNTA (0.79) GRIA4GRIA2FNTAFNTB
SCHEMBL3128708 0.76 PLA2G1B (0.61) GRIA4GRIA2FNTAFNTBPLA2G1B
SCHEMBL3133785 0.76 PLA2G1B (0.78) GRIA4GRIA2FNTAFNTBPLA2G1B

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 7 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-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
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
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 GRIA4 15/4885GRIA2 57/4885FNTA 1089/4885

“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.