SCHEMBL5861593

SCHEMBL5861593

COc1ccc(N[C@@H](C)CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
POLB P06746 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL5861604 1.00 HTT (0.53) HTTALDH1A1FNTAFNTBPOLB
SCHEMBL5392384 0.84 LMNA (0.46) HTTALDH1A1POLBKDM4EMEN1
SCHEMBL2704334 0.81 TSHR (0.53) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL22868105 0.81 CA12 (0.46) ALDH1A1FNTAFNTBPOLBMEN1
SCHEMBL30797201 0.81 ACACB (0.45) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL5861572 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL2705958 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4124188 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11711515 0.80 SMN1; SMN2 (0.52) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL2703752 0.79 CA12 (0.44) ALDH1A1FNTAFNTBPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7145030-B2 Production method for optically active N-aryl-β-amino acid compounds AJINOMOTO CO., INC. (JP) 2006-12-05 US disclosed
US-20040267043-A1 Production method for optically active N-aryl-beta-amino acid compounds AJINOMOTO CO., INC. (JP) 2004-12-30 US disclosed
EP-1471050-A1 Production method for optically active N-aryl-beta-amino acid compounds Ajinomoto Co., Inc. (JP) 2004-10-27 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-20040267043-A1 Production method for optically active N-aryl-beta-amino acid compounds AADAT, AADAC, DDC HTT 87/4885ALDH1A1 588/4885FNTA 473/4885

“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.