SCHEMBL3135115

SCHEMBL3135115

CCc1sc(C(N)=O)c(C(C)(C)C)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 6/20 0.49
GRIA2 P42262 4/20 0.49
GAA P10253 3/20 0.38
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HSP90AB1 P08238 1/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA2A P29274 1/20 0.30

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
SCHEMBL3128132 0.78 GRIA2 (0.42) GRIA4GRIA2GAAALDH1A1HSD17B10
SCHEMBL3139160 0.76 GRIA4 (0.80) GRIA4GRIA2ALDH1A1L3MBTL1HSP90AB1
SCHEMBL3135106 0.74 GRIA2 (0.39) GRIA4GRIA2GAAALDH1A1HSD17B10
SCHEMBL6772083 0.68 GRIA4 (0.53) GRIA4GRIA2GAAALDH1A1HSD17B10
SCHEMBL3138044 0.67 GRIA4 (0.52) GRIA4GRIA2ALDH1A1HSD17B10TSHR
SCHEMBL1720715 0.67 ALDH1A1 (0.51) GAAALDH1A1HSD17B10TSHRMAPK1
SCHEMBL3134036 0.66 GRIA4 (1.00) GRIA4GRIA2KMT2A
SCHEMBL8281925 0.66 GRIA4 (0.70) GRIA4GRIA2KMT2A
SCHEMBL3128683 0.66 L3MBTL1 (0.56) GAAALDH1A1HSD17B10TSHRMAPK1
SCHEMBL3128645 0.66 GRIA4 (0.54) GRIA4GRIA2ALDH1A1L3MBTL1HSP90AB1

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 2 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

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 57/4885GAA 2347/4885

“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.