SCHEMBL5262634

SCHEMBL5262634

NC(=O)CC[C@H](NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
SLC1A3 P43003 1/20 0.52
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
CA2 P00918 5/20 0.48
CA1 P00915 4/20 0.48
PRSS1 P07477 2/20 0.45
TMPRSS15 P98073 2/20 0.45
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
NAALAD2 Q9Y3Q0 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5262631 1.00 KMT2A (0.57) KMT2ASLC1A3MMP2MMP9CA2
SCHEMBL1834431 0.88 NAALAD2 (0.56) SLC1A3MMP9NAALAD2GAA
SCHEMBL5259353 0.88 NAALAD2 (0.56) SLC1A3MMP9NAALAD2GAA
SCHEMBL5854507 0.82 SLC1A3 (0.52) SLC1A3MMP2MMP9SIRT1CYP1A2
SCHEMBL5854503 0.82 SLC1A3 (0.52) SLC1A3MMP2MMP9SIRT1CYP1A2
SCHEMBL5855554 0.82 SLC1A3 (0.52) SLC1A3MMP2MMP9SIRT1CYP1A2
SCHEMBL6513589 0.82 KMT2A (0.45) KMT2ASLC1A3MMP2MMP9CA2
SCHEMBL31663461 0.82 MMP2 (0.52) SLC1A3MMP2MMP9SIRT1CYP1A2
SCHEMBL21027927 0.81 SLC1A3 (0.58) KMT2ASLC1A3SIRT1CYP1A2GAA
SCHEMBL5261062 0.81 SLC1A3 (0.51) SLC1A3MMP2MMP9CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112438905-B Moisturizing and skin-brightening composition and application thereof 澳思美日用化工(广州)有限公司 2021-09-07 CN disclosed
CN-112438905-A Moisturizing and skin-brightening composition and application thereof 澳思美日用化工(广州)有限公司 2021-03-05 CN disclosed
EP-1338588-B1 METHOD OF RESOLVING OPTICAL ISOMERS OF AMINO ACID DERIVATIVE TOKUYAMA CORP (JP) 2007-09-26 EP disclosed
US-7199264-B2 Method of resolving optical isomers of amino acid derivative TOKUYAMA CORPORATION (JP) 2007-04-03 US disclosed
US-20040102646-A1 Method of resolving optical isomers of amino acid derivative TOKUYAMA CORPORATION (JP) 2004-05-27 US disclosed
EP-1338588-A1 METHOD OF RESOLVING OPTICAL ISOMERS OF AMINO ACID DERIVATIVE TOKUYAMA CORPORATION (JP) 2003-08-27 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-20040102646-A1 Method of resolving optical isomers of amino acid derivative ALAD, AAAS, BCAT1 KMT2A 3943/4885SLC1A3 105/4885MMP2 2787/4885

“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.