SCHEMBL5622971

SCHEMBL5622971

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ KDM4E B2RXH2 7/20 0.56
▸ LCK P06239 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 3/20 0.55
▸ CYP2D6 P10635 3/20 0.52
▸ SCN9A Q15858 1/20 0.49
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA3 P07451 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ CA5B Q9Y2D0 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ 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
SCHEMBL16715181 0.86 KDM4E (0.49) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL16715180 0.86 KDM4E (0.49) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL5622718 0.83 MEN1 (0.62) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL27140781 0.81 KDM4E (0.48) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL27140779 0.81 KDM4E (0.48) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL15539797 0.79 CTSS (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL26195520 0.79 CYP2D6 (0.62) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL5622852 0.79 SLC17A5 (0.64) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL5622471 0.79 SLC17A5 (0.64) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL5276812 0.79 SLC17A5 (0.64) MEN1KMT2AKDM4ELCKALDH1A1

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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