Sugi Predict

Sugi Predict / Compounds / SCHEMBL4739156

SCHEMBL4739156

SCHEMBL4739156

CC(=O)C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.50
▸ GSTK1 Q9Y2Q3 1/20 0.50
▸ BMP1 P13497 2/20 0.46
▸ FOLH1 Q04609 3/20 0.43
▸ GLO1 Q04760 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ENPEP Q07075 5/20 0.36
▸ ANPEP P15144 3/20 0.36
▸ ACE P12821 1/20 0.36
▸ RIMKLA Q8IXN7 1/20 0.35
▸ NAALAD2 Q9Y3Q0 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35

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
SCHEMBL29774451 0.89 PTGS1 (0.52) PTGS1GSTK1BMP1FOLH1GLO1
SCHEMBL30148833 0.83 PTGS1 (0.59) PTGS1GSTK1BMP1FOLH1GLO1
SCHEMBL28927466 0.83 PTGS1 (0.59) PTGS1GSTK1BMP1FOLH1GLO1
SCHEMBL31517444 0.82 PTGS1 (0.54) PTGS1GSTK1BMP1FOLH1GLO1
SCHEMBL31571920 0.80 PTGS1 (0.59) PTGS1GSTK1BMP1FOLH1GLO1
SCHEMBL27571430 0.80 PTGS1 (0.51) PTGS1GSTK1BMP1FOLH1GLO1
SCHEMBL27571433 0.80 PTGS1 (0.51) PTGS1GSTK1BMP1FOLH1GLO1
SCHEMBL4632742 0.79 MAPT (0.56) PTGS1GSTK1BMP1GLO1MAPT
SCHEMBL4739161 0.79 BMP1 (0.44) BMP1FOLH1MAPTPTGS2ENPEP
SCHEMBL30438215 0.79 PTGS1 (0.57) PTGS1GSTK1BMP1FOLH1GLO1

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
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 — — 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
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

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 PTGS1 308/4885GSTK1 66/4885BMP1 4702/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 PTGS1 816/4885GSTK1 280/4885BMP1 4330/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 PTGS1 816/4885GSTK1 280/4885BMP1 4330/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 PTGS1 816/4885GSTK1 280/4885BMP1 4330/4885

“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.