SCHEMBL3137622

SCHEMBL3137622

CCOC(=O)c1sc(SC)c(C#N)c1-c1ccc(OCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.52
FNTB P49356 15/20 0.52
GRIA4 P48058 2/20 0.45
GRIA2 P42262 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
BRAF P15056 1/20 0.41

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
SCHEMBL3138122 0.90 FNTA (0.53) FNTAFNTBGRIA4GRIA2BRAF
SCHEMBL5728622 0.82 FNTA (0.59) FNTAFNTBGRIA4GRIA2BRAF
SCHEMBL3137924 0.82 FNTA (0.57) FNTAFNTBGRIA4GRIA2BRAF
Trifluoroacetic Acid SCHEMBL3139108 0.81 FNTA (0.53) FNTAFNTBGRIA4GRIA2BRAF
SCHEMBL3132999 0.80 FNTA (0.63) FNTAFNTBGRIA4GRIA2
SCHEMBL3138457 0.78 GRIA4 (0.71) FNTAFNTBGRIA4GRIA2
SCHEMBL3128982 0.77 FNTA (0.78) FNTAFNTBGRIA4GRIA2
SCHEMBL3137504 0.76 FNTA (0.61) FNTAFNTBGRIA4GRIA2BRAF
SCHEMBL3257463 0.76 FNTA (0.61) FNTAFNTBGRIA4GRIA2
SCHEMBL3135084 0.76 FNTA (0.63) FNTAFNTBGRIA4GRIA2

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 FNTA 1089/4885FNTB 2103/4885GRIA4 15/4885

“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.