SCHEMBL5622853

SCHEMBL5622853

COc1ccc2c(C[C@](N)(C(=O)O)C(=O)OCC3c4ccccc4-c4ccccc43)cc(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.50
▸ LCK P06239 1/20 0.50
▸ ALDH1A1 P00352 9/20 0.48
▸ POLB P06746 3/20 0.48
▸ SLC17A5 Q9NRA2 1/20 0.47
▸ HPGD P15428 6/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP2D6 P10635 3/20 0.44
▸ CDC25A P30304 1/20 0.44
▸ CDC25B P30305 1/20 0.44

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
SCHEMBL5623505 1.00 KDM4E (0.50) KDM4ELCKALDH1A1POLBSLC17A5
SCHEMBL6028423 1.00 KDM4E (0.50) KDM4ELCKALDH1A1POLBSLC17A5
SCHEMBL5622593 0.88 SLC17A5 (0.60) KDM4ELCKALDH1A1POLBSLC17A5
SCHEMBL5623603 0.85 KDM4E (0.55) KDM4ELCKALDH1A1POLBHPGD
SCHEMBL5622981 0.80 KDM4E (0.58) KDM4ELCKALDH1A1POLBHPGD
SCHEMBL5622471 0.79 SLC17A5 (0.64) KDM4ELCKALDH1A1POLBSLC17A5
SCHEMBL5276812 0.79 SLC17A5 (0.64) KDM4ELCKALDH1A1POLBSLC17A5
SCHEMBL5622852 0.79 SLC17A5 (0.64) KDM4ELCKALDH1A1POLBSLC17A5
SCHEMBL1311053 0.78 FABP5 (0.44) ALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL31665940 0.75 MDM2 (0.38) KMT2ASMN1; SMN2

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
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
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 KDM4E 3515/4885LCK 3755/4885ALDH1A1 874/4885

“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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