SCHEMBL3128683

SCHEMBL3128683

CCOC(=O)c1sc(CC)c(C#N)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 8/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 2/20 0.50
APOBEC3G Q9HC16 1/20 0.49
ADORA2A P29274 1/20 0.49
MAPT P10636 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
BRAF P15056 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 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
SCHEMBL623479 0.85 L3MBTL1 (0.70) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL3135234 0.85 L3MBTL1 (0.58) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL3128688 0.84 L3MBTL1 (0.50) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL623739 0.80 L3MBTL1 (0.53) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL3139470 0.80 L3MBTL1 (0.53) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL9865456 0.79 L3MBTL1 (0.55) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL3133076 0.79 L3MBTL1 (0.55) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL626630 0.79 ADORA2A (0.74) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL9865266 0.78 L3MBTL1 (0.51) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL14421497 0.75 RXFP1 (0.63) L3MBTL1RXFP1ALDH1A1HPGDKDM4E

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 L3MBTL1 3910/4885RXFP1 4836/4885ALDH1A1 1344/4885

“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.