SCHEMBL3139230

SCHEMBL3139230

CCCOc1ccccc1-c1ccc(-c2c(C(=O)OCC)sc(CC)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.49
GRIA4 P48058 4/20 0.49
FNTA P49354 13/20 0.47
FNTB P49356 13/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3138529 0.93 GRIA2 (0.56) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL3138496 0.89 GRIA2 (0.55) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL8282761 0.86 FNTA (0.52) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL3128581 0.85 FNTA (0.53) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL3142357 0.85 GRIA2 (0.52) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL3138668 0.82 GRIA4 (0.54) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL3131093 0.81 FNTA (0.53) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL3135478 0.80 FNTA (0.69) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL5731679 0.80 FNTA (0.48) GRIA2GRIA4FNTAFNTBALDH1A1
SCHEMBL3136071 0.79 FNTA (0.55) GRIA2GRIA4FNTAFNTBALDH1A1

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 9 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-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
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 GRIA2 57/4885GRIA4 15/4885FNTA 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.