SCHEMBL3138034

SCHEMBL3138034

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.59
FNTB P49356 14/20 0.59
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
APOBEC3G Q9HC16 1/20 0.46
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
BRAF P15056 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3128242 0.84 L3MBTL1 (0.56) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3129020 0.84 FNTA (0.55) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3128690 0.83 GRIA2 (0.54) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3135084 0.83 FNTA (0.63) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3128708 0.82 PLA2G1B (0.61) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL8280703 0.82 FNTA (0.53) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3134049 0.81 APOBEC3G (0.51) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL13522749 0.78 FNTA (0.81) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3139470 0.75 L3MBTL1 (0.53) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3139168 0.74 ALDH1A1 (0.44) FNTAFNTBALDH1A1HPGDKDM4E

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 FNTA 1089/4885FNTB 2103/4885ALDH1A1 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.