SCHEMBL3128173

SCHEMBL3128173

CCOC(=O)c1sc(C(F)(F)F)c(C#N)c1-c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.49
FNTB P49356 12/20 0.49
GRIA2 P42262 2/20 0.49
GRIA4 P48058 2/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTPN5 P54829 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
BRAF P15056 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
SCHEMBL3128939 0.87 GRIA4 (0.50) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3134423 0.85 FNTA (0.53) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3142357 0.85 GRIA2 (0.52) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3135036 0.85 L3MBTL1 (0.51) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3136646 0.84 FNTA (0.58) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3138584 0.84 GRIA4 (0.65) FNTAFNTBGRIA2GRIA4PTPN5
SCHEMBL3137792 0.84 PLA2G1B (0.61) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3138042 0.83 GRIA4 (0.71) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3131147 0.83 GRIA2 (0.49) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL5727935 0.82 FNTA (0.48) FNTAFNTBGRIA2GRIA4ALDH1A1

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 2103/4885GRIA2 57/4885

“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.