SCHEMBL2384299

SCHEMBL2384299

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccccc1O)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
MMP8 P22894 1/20 0.39
CTSL P07711 4/20 0.37
CTSB P07858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
CTRB1 P17538 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ELANE P08246 1/20 0.36
HPRT1 P00492 1/20 0.36

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
SCHEMBL2387785 0.93 ABCB1 (0.43) ABCB1ITGA4ITGB7CTSLALDH1A1
SCHEMBL2385820 0.91 ABCB1 (0.40) ABCB1MMP8CTSLCTSBALDH1A1
SCHEMBL2385988 0.91 MMP8 (0.44) ABCB1MMP8CTSLCTSBALDH1A1
SCHEMBL2385845 0.89 ITGA4 (0.43) ITGA4ITGB7MMP8CTSLCTSB
SCHEMBL2387334 0.89 CTSL (0.45) ABCB1MMP8CTSLCTSBMME
SCHEMBL2385510 0.88 ALDH1A1 (0.46) ABCB1ITGA4ITGB7MMP8ALDH1A1
SCHEMBL2385443 0.88 MME (0.50) ABCB1ITGA4ITGB7MMP8CTSL
SCHEMBL2387245 0.88 ABCB1 (0.38) ABCB1MMP8CTSLCTSBALDH1A1
SCHEMBL2387926 0.87 PPARG (0.42) ABCB1MMP8CTSLL3MBTL1MME
SCHEMBL2385964 0.87 ATM (0.43) ABCB1MMP8CTSLPOLBL3MBTL1

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 3860/4885ITGA4 4819/4885ITGB7 4625/4885

“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.