SCHEMBL2385847

SCHEMBL2385847

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1cccc(OC)c1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
CPA1 P15085 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
FPR2 P25090 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
GPR132 Q9UNW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TP53 P04637 1/20 0.39
ABCB1 P08183 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL2386311 0.93 POLB (0.48) POLBMMEACECPA1ACE2
SCHEMBL2385533 0.93 MME (0.52) POLBMMEACECPA1ACE2
SCHEMBL2386647 0.91 KMT2A (0.47) MMEACECPA1ACE2FPR2
SCHEMBL2385988 0.90 MMP8 (0.44) POLBALDH1A1TP53ABCB1
SCHEMBL2385104 0.89 POLB (0.50) POLBMMEACECPA1ACE2
SCHEMBL2384511 0.89 NOS2 (0.43) POLBMMEACECPA1ACE2
SCHEMBL2385565 0.89 ITGA4 (0.43) POLBMMEACECPA1ACE2
SCHEMBL2385601 0.88 KMT2A (0.40) FPR2ALDH1A1ALOX15ABCB1MEN1
SCHEMBL2385817 0.88 KMT2A (0.50) FPR2ALDH1A1ALOX15MEN1KMT2A
SCHEMBL2386290 0.87 ALDH1A1 (0.43) POLBALDH1A1ALOX15MEN1KMT2A

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 POLB 2554/4885MME 34/4885ACE 31/4885

“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.