SCHEMBL4739161

SCHEMBL4739161

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.44
FOLH1 Q04609 7/20 0.41
ENPEP Q07075 6/20 0.35
ANPEP P15144 3/20 0.35
ACE P12821 1/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.33
RIMKLA Q8IXN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4739156 0.79 PTGS1 (0.50) BMP1FOLH1ENPEPANPEPACE
SCHEMBL31514543 0.71 FOLH1 (0.61) BMP1FOLH1ACENAALAD2RIMKLA
SCHEMBL29774451 0.68 PTGS1 (0.52) BMP1FOLH1ENPEPANPEPACE
SCHEMBL30824322 0.67 FOLH1 (0.65) BMP1FOLH1ENPEPANPEPACE
SCHEMBL17884294 0.67 FOLH1 (0.59) BMP1FOLH1ENPEPANPEPACE
SCHEMBL3395647 0.67 KDM4E (0.69) FOLH1ACENAALAD2KDM4EMAPT
SCHEMBL3395639 0.67 KDM4E (0.69) FOLH1ACENAALAD2KDM4EMAPT
SCHEMBL14012326 0.66 FOLH1 (0.46) BMP1FOLH1ENPEPANPEPACE
SCHEMBL17888187 0.66 NOD1 (0.49) BMP1FOLH1ENPEPANPEPACE
SCHEMBL9760353 0.65 FOLH1 (0.61) BMP1FOLH1ENPEPANPEPACE

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-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 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-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 BMP1 4702/4885FOLH1 3095/4885ENPEP 1060/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 BMP1 4330/4885FOLH1 2710/4885ENPEP 1218/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 BMP1 4330/4885FOLH1 2710/4885ENPEP 1218/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 BMP1 4330/4885FOLH1 2710/4885ENPEP 1218/4885

“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.