SCHEMBL5728622

SCHEMBL5728622

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.59
FNTB P49356 13/20 0.59
GRIA4 P48058 2/20 0.49
GRIA2 P42262 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
BRAF P15056 1/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
SMAD3 P84022 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL3139108 0.94 FNTA (0.53) FNTAFNTBGRIA4GRIA2KDM4E
SCHEMBL3132999 0.87 FNTA (0.63) FNTAFNTBGRIA4GRIA2KDM4E
SCHEMBL3139129 0.85 FNTA (0.63) FNTAFNTBGRIA4GRIA2KDM4E
SCHEMBL3138122 0.84 FNTA (0.53) FNTAFNTBGRIA4GRIA2KDM4E
SCHEMBL3128982 0.84 FNTA (0.78) FNTAFNTBGRIA4GRIA2KDM4E
SCHEMBL3137924 0.83 FNTA (0.57) FNTAFNTBGRIA4GRIA2KDM4E
SCHEMBL3135084 0.83 FNTA (0.63) FNTAFNTBGRIA4GRIA2KDM4E
SCHEMBL2681861 0.82 GRIA4 (0.67) FNTAFNTBGRIA4GRIA2KDM4E
SCHEMBL3137622 0.82 FNTA (0.52) FNTAFNTBGRIA4GRIA2BRAF
SCHEMBL3137504 0.81 FNTA (0.61) FNTAFNTBGRIA4GRIA2KDM4E

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 5 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
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.