SCHEMBL3042749

SCHEMBL3042749

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.42
MME P08473 2/20 0.39
ECE1 P42892 2/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 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
SCHEMBL3046493 0.87 FOLH1 (0.42) FOLH1MMEECE1NAALAD2SIRT2
SCHEMBL3037406 0.87 FOLH1 (0.42) FOLH1MMEECE1NAALAD2SIRT2
SCHEMBL3049456 0.85 FOLH1 (0.39) FOLH1MMEECE1NAALAD2SIRT2
SCHEMBL3054282 0.85 MME (0.43) FOLH1MMEECE1NAALAD2SIRT2
SCHEMBL3053901 0.84 FOLH1 (0.40) FOLH1MMEECE1NAALAD2PPARA
SCHEMBL3050998 0.83 ECE1 (0.43) FOLH1MMEECE1SIRT2SIRT1
SCHEMBL3040765 0.82 ECE1 (0.38) FOLH1MMEECE1SIRT2SIRT1
SCHEMBL3047963 0.81 PPARA (0.41) FOLH1MMENAALAD2PPARAPPARG
SCHEMBL3043986 0.81 LTA4H (0.39) PPARA
Trifluoroacetic Acid SCHEMBL3044628 0.81 MME (0.42) FOLH1MMEECE1NAALAD2SIRT2

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 2 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 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 (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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 FOLH1 1880/4885MME 818/4885ECE1 680/4885

“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.