SCHEMBL5728545

SCHEMBL5728545

CCOC(=O)c1sc(CC)c(C#N)c1-c1ccc(-c2sccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.46
GRIA4 P48058 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
FNTA P49354 14/20 0.43
FNTB P49356 14/20 0.43
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
BRAF P15056 1/20 0.36

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
SCHEMBL8282806 0.90 GRIA4 (0.58) GRIA2GRIA4FNTAFNTBKMT2A
SCHEMBL13520878 0.82 FNTA (0.48) GRIA2GRIA4KDM4EALDH1A1HPGD
SCHEMBL8282870 0.81 FNTA (0.47) GRIA2GRIA4KDM4EALDH1A1HPGD
SCHEMBL3136862 0.81 ALDH1A1 (0.50) GRIA2GRIA4KDM4EALDH1A1HPGD
SCHEMBL3138587 0.80 ALDH1A1 (0.49) GRIA2GRIA4KDM4EALDH1A1HPGD
SCHEMBL3137856 0.77 GRIA4 (0.75) GRIA2GRIA4KDM4EALDH1A1HPGD
SCHEMBL3135478 0.76 FNTA (0.69) GRIA2GRIA4KDM4EALDH1A1HPGD
SCHEMBL3142539 0.75 FNTA (0.53) GRIA2GRIA4KDM4EALDH1A1HPGD
SCHEMBL3142449 0.75 FNTA (0.49) GRIA2GRIA4KDM4EALDH1A1HPGD
SCHEMBL3136071 0.75 FNTA (0.55) GRIA2GRIA4KDM4EALDH1A1HPGD

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 GRIA2 57/4885GRIA4 15/4885KDM4E 1175/4885

“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.