SCHEMBL2387245

SCHEMBL2387245

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccccc1C(C)C)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
CTSL P07711 4/20 0.38
MMP8 P22894 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CTSB P07858 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CTRB1 P17538 2/20 0.35

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
SCHEMBL2388337 0.92 ABCB1 (0.41) ABCB1CTSLMMEACECPA1
SCHEMBL2387206 0.90 ITGA4 (0.40) CTSLMMP8ACESLC6A2SLC6A4
SCHEMBL2385820 0.89 ABCB1 (0.40) ABCB1CTSLMMP8MMEACE
SCHEMBL2385988 0.89 MMP8 (0.44) ABCB1CTSLMMP8CTSBLMNA
SCHEMBL2384299 0.88 ABCB1 (0.39) ABCB1CTSLMMP8MMEACE
SCHEMBL2385443 0.86 MME (0.50) ABCB1CTSLMMP8MMEACE
SCHEMBL2385510 0.86 ALDH1A1 (0.46) ABCB1MMP8MMEACECPA1
SCHEMBL2384481 0.86 MEN1 (0.43) ABCB1CTSLMMP8MMEACE
SCHEMBL2387334 0.85 CTSL (0.45) ABCB1CTSLMMP8MMEACE
SCHEMBL2387926 0.85 PPARG (0.42) ABCB1CTSLMMP8MMEACE

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 ABCB1 3860/4885CTSL 238/4885MMP8 1351/4885

“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.