SCHEMBL3126306

SCHEMBL3126306

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 13/20 1.00
GRIA2 P42262 7/20 1.00
FNTA P49354 6/20 0.46
FNTB P49356 6/20 0.46
KMT2A Q03164 1/20 0.45
PIK3CA P42336 1/20 0.39

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
SCHEMBL3131405 0.88 GRIA4 (0.79) GRIA4GRIA2FNTAFNTB
SCHEMBL3131141 0.84 GRIA4 (0.72) GRIA4GRIA2FNTAFNTB
SCHEMBL5728529 0.82 GRIA4 (0.73) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL5728657 0.80 GRIA4 (0.67) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3125313 0.80 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3134036 0.79 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3258244 0.77 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3128889 0.77 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3138051 0.77 GRIA4 (0.65) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3206052 0.76 GRIA4 (0.61) GRIA4GRIA2FNTAFNTBKMT2A

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-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
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 GRIA4 15/4885GRIA2 57/4885FNTA 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.