SCHEMBL623756

SCHEMBL623756

CCOC(=O)c1sc(S(C)(=O)=O)c(C#N)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 2/20 0.45
APOBEC3G Q9HC16 2/20 0.44
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.41
BRAF P15056 2/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 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
SCHEMBL3128690 0.82 GRIA2 (0.54) RXFP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL5731532 0.81 GRIA4 (0.53) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL3131470 0.81 L3MBTL1 (0.52) L3MBTL1RXFP1ALDH1A1KDM4EMAPT
SCHEMBL623720 0.81 L3MBTL1 (0.52) L3MBTL1RXFP1ALDH1A1KDM4EMAPT
SCHEMBL10288612 0.80 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL1552287 0.80 GRIA2 (0.43) L3MBTL1ALDH1A1GRIA2GRIA4GAA
SCHEMBL3134049 0.79 APOBEC3G (0.51) L3MBTL1RXFP1ALDH1A1KDM4EMAPT
SCHEMBL2680927 0.79 GRIA2 (0.56) L3MBTL1RXFP1ALDH1A1KDM4EMAPT
SCHEMBL3128688 0.78 L3MBTL1 (0.50) L3MBTL1RXFP1ALDH1A1KDM4EMAPT
SCHEMBL622624 0.78 L3MBTL1 (0.68) L3MBTL1RXFP1ALDH1A1KDM4EMAPT

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
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
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100075951-A1 Heteroaryls and uses thereof PIK3R3, AKT1S1, PIK3R1 L3MBTL1 2898/4885RXFP1 1040/4885ALDH1A1 1931/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 L3MBTL1 466/4885RXFP1 2451/4885ALDH1A1 429/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT L3MBTL1 3910/4885RXFP1 4836/4885ALDH1A1 1344/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 L3MBTL1 651/4885RXFP1 2530/4885ALDH1A1 395/4885

“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.