SCHEMBL3049456

SCHEMBL3049456

CC[C@H](C)[C@](N)(C(=O)N[C@@H](CCC(=O)CBr)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MME P08473 3/20 0.36
ECE1 P42892 3/20 0.36
CTSK P43235 2/20 0.36
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NAALAD2 Q9Y3Q0 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
SCHEMBL3042749 0.85 FOLH1 (0.42) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL3037406 0.83 FOLH1 (0.42) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL3046493 0.83 FOLH1 (0.42) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL3054282 0.80 MME (0.43) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL3040765 0.80 ECE1 (0.38) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL3053901 0.80 FOLH1 (0.40) FOLH1MMEECE1NAALAD2
SCHEMBL3050998 0.79 ECE1 (0.43) FOLH1SIRT2SIRT1MMEECE1
Trifluoroacetic Acid SCHEMBL3044628 0.77 MME (0.42) FOLH1SIRT2SIRT1MMEECE1
Trifluoroacetic Acid SCHEMBL3055444 0.75 ITGB3 (0.43) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL3047963 0.75 PPARA (0.41) FOLH1MMECTSKNAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012153125-A1 NOVEL COMPOUNDS AND METHODS FOR USE IN MEDICINE ASTON UNIVERSITY (GB) 2012-11-15 WO disclosed
US-7723307-B2 Amino acid derivatives and pharmaceutical uses thereof ASTON UNIVERSITY (GB) 2010-05-25 US disclosed
US-20080200511-A1 Novel Compounds and Methods of Using the Same ASTON UNIVERSITY (GB) 2008-08-21 US disclosed
EP-1648924-B1 DIPEPTIDE TRANSGLUTAMINASE INHIBITORS AND METHODS OF USING THE SAME UNIV ASTON (GB) 2008-07-30 EP 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-20080200511-A1 Novel Compounds and Methods of Using the Same F3, IL4I1, TPMT FOLH1 609/4885SIRT2 2625/4885SIRT1 2314/4885

“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.