SCHEMBL4674701

SCHEMBL4674701

CCOC(=O)C(=O)CSc1nnc(S)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ GAA P10253 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37

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
SCHEMBL4674997 0.89 ALDH1A1 (0.57) ALDH1A1GAAHPGDL3MBTL1MEN1
SCHEMBL8957668 0.85 ALDH1A1 (0.68) ALDH1A1GAAHPGDL3MBTL1MEN1
SCHEMBL4676031 0.85 GAA (0.61) ALDH1A1GAAHPGDL3MBTL1MEN1
SCHEMBL4678070 0.82 ALDH1A1 (0.74) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL16886213 0.77 ALDH1A1 (0.56) ALDH1A1GAAHPGDL3MBTL1MEN1
SCHEMBL16160314 0.76 GAA (0.47) ALDH1A1GAAHPGDL3MBTL1KDM4E
SCHEMBL17117782 0.75 ALDH1A1 (0.43) ALDH1A1GAAHPGDL3MBTL1MEN1
SCHEMBL9385118 0.74 ALDH1A1 (0.48) ALDH1A1GAAHPGDL3MBTL1MEN1
SCHEMBL1964151 0.74 L3MBTL1 (0.62) ALDH1A1GAAHPGDL3MBTL1HSD17B10
SCHEMBL13297730 0.74 ALOX5 (0.49) ALDH1A1GAAHPGDL3MBTL1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 — — EP disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 — — EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 — — US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 — — US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 — — EP disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 — — US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 — — US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 — — US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 — — US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 — — 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 ALDH1A1 247/4885GAA 622/4885HPGD 43/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 ALDH1A1 241/4885GAA 699/4885HPGD 110/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 ALDH1A1 241/4885GAA 699/4885HPGD 110/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 ALDH1A1 241/4885GAA 699/4885HPGD 110/4885

“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.

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