SCHEMBL2384449

SCHEMBL2384449

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccccc1OCc1ccccc1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
ABCB1 P08183 2/20 0.41
PTGER1 P34995 2/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
PPARG P37231 1/20 0.39
LTA4H P09960 1/20 0.39
OPRK1 P41145 2/20 0.39
ALOX15 P16050 1/20 0.39
SLC1A5 Q15758 2/20 0.38
BRD4 O60885 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL2386217 0.93 ALDH1A1 (0.48) MMEACECPA1ACE2ABCB1
SCHEMBL2385443 0.92 MME (0.50) MMEACECPA1ACE2ABCB1
SCHEMBL2387711 0.91 ITGA4 (0.48) MMEACECPA1ACE2PTGER1
SCHEMBL2387785 0.89 ABCB1 (0.43) ABCB1ALDH1A1GAAITGA4ITGB7
SCHEMBL2387351 0.88 ABCB1 (0.47) ABCB1ALDH1A1PPARGALOX15CYP2C9
SCHEMBL2388080 0.88 ABCB1 (0.42) ABCB1ALDH1A1GAAOPRK1ALOX15
SCHEMBL2385510 0.86 ALDH1A1 (0.46) MMEACECPA1ACE2ABCB1
SCHEMBL2388337 0.86 ABCB1 (0.41) MMEACECPA1ACE2ABCB1
SCHEMBL2385887 0.86 PPARG (0.55) MMEACECPA1ACE2PPARG
SCHEMBL2386926 0.85 ALDH1A1 (0.45) ALDH1A1ALOX15

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 MME 34/4885ACE 31/4885CPA1 112/4885

“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.