SCHEMBL5622718

SCHEMBL5622718

COc1ccc2c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)cc(=O)oc2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ KDM4E B2RXH2 6/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ HPGD P15428 4/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ LCK P06239 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL5622471 0.84 SLC17A5 (0.64) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5276812 0.84 SLC17A5 (0.64) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5622852 0.84 SLC17A5 (0.64) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5622971 0.83 MEN1 (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9826754 0.77 ALDH1A1 (0.56) ALDH1A1POLBNPC1RAB9A
SCHEMBL9716776 0.77 ATM (0.67) KMT2AALDH1A1
SCHEMBL7044299 0.77 ATM (0.67) KMT2AALDH1A1
SCHEMBL7044293 0.77 ATM (0.67) KMT2AALDH1A1
SCHEMBL7039089 0.77 ATM (0.67) KMT2AALDH1A1
SCHEMBL9716778 0.77 ATM (0.67) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained INSERM (INSTITUT NATIONAL DE LA SANT'E ET DE LA RECHERCHE MEDICALE (FR) 2007-07-12 — — US claimed
EP-1559712-A1 A method for manufacturing optically active coumaryl amino acid salts and the coumaryl aminoacid salts thus obtained INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-08-03 — — EP claimed
US-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained INSERM (INSTITUT NATIONAL DE LA SANT'E ET DE LA RECHERCHE MEDICALE (FR) 2007-07-12 — — US disclosed
US-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained INSERM (INSTITUT NATIONAL DE LA SANT'E ET DE LA RECHERCHE MEDICALE (FR) 2007-07-12 — — US disclosed
US-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained INSERM (INSTITUT NATIONAL DE LA SANT'E ET DE LA RECHERCHE MEDICALE (FR) 2007-07-12 — — US disclosed
EP-1711483-A2 A METHOD FOR MANUFACTURING OPTICALLY PURE COUMARYL AMINO ACID SALTS AND THE COUMARYL AMINO ACID SALTS THUS OBTAINED INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-10-18 — — EP disclosed
WO-2005075448-A2 A METHOD FOR MANUFACTURING OPTICALLY PURE COUMARYL AMINO ACIDS SALTS AND THE COUMARYL AMINO ACID SALTS THUS OBTAINED INSTITUT NATIONAL DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-08-18 — — WO disclosed
EP-1559712-A1 A method for manufacturing optically active coumaryl amino acid salts and the coumaryl aminoacid salts thus obtained INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-08-03 — — 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-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained CRYAA, BCAT2, BCAT1 MEN1 4557/4885KMT2A 3259/4885KDM4E 3515/4885

“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.

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