SCHEMBL2386290

SCHEMBL2386290

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(OC)cc1OC)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
CAPN1 P07384 4/20 0.43
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2386926 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15CAPN1NPC1KDM4E
SCHEMBL2385601 0.92 KMT2A (0.40) ALDH1A1ALOX15CAPN1MEN1KMT2A
SCHEMBL2385510 0.90 ALDH1A1 (0.46) ALDH1A1CAPN1NPC1MEN1KMT2A
SCHEMBL2388349 0.90 ITGA4 (0.44) ALDH1A1ALOX15CAPN1NPC1KDM4E
SCHEMBL2386647 0.88 KMT2A (0.47) KMT2A
SCHEMBL2385847 0.87 POLB (0.43) ALDH1A1ALOX15NPC1MEN1KMT2A
SCHEMBL2384483 0.87 KMT2A (0.41) ALDH1A1ALOX15CAPN1MEN1KMT2A
SCHEMBL2385684 0.86 KMT2A (0.41) ALDH1A1ALOX15CAPN1MEN1KMT2A
SCHEMBL2385988 0.85 MMP8 (0.44) ALDH1A1POLB
SCHEMBL2385817 0.85 KMT2A (0.50) ALDH1A1ALOX15CAPN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017378-B2 Method for production of optically active biphenylalanine compound or salt or ester thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-13 US disclosed
EP-1980622-B1 METHOD FOR PRODUCTION OF AN OPTICALLY ACTIVE BIPHENYLALANINE COMPOUND OR SALT OR ESTER THEREOF SUMITOMO CHEMICAL CO (JP) 2010-08-18 EP disclosed
US-20090011475-A1 Method For Production of Optically Active Biphenylalanine Compound or Salt or Ester Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 US disclosed
EP-1980622-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE BIPHENYLALANINE COMPOUND OR SALT OR ESTER THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-15 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-20090011475-A1 Method For Production of Optically Active Biphenylalanine Compound or Salt or Ester Thereof DNPEP, APEH, PAH ALDH1A1 755/4885ALOX15 1645/4885CAPN1 1772/4885

“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.