SCHEMBL2385104

SCHEMBL2385104

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
TP53 P04637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TACR1 P25103 1/20 0.44
CTSL P07711 3/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
CTSB P07858 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MMP8 P22894 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MME P08473 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
SCHEMBL2388229 0.93 POLB (0.51) POLBALDH1A1TACR1CTSLCTSS
SCHEMBL2385924 0.93 TACR1 (0.50) POLBTP53ALDH1A1TACR1CTSL
SCHEMBL2385988 0.93 MMP8 (0.44) POLBTP53ALDH1A1TACR1CTSL
SCHEMBL2384511 0.92 NOS2 (0.43) POLBTP53ALDH1A1TACR1CTSL
SCHEMBL2385964 0.91 ATM (0.43) POLBTP53TACR1CTSLCTSK
SCHEMBL2385533 0.89 MME (0.52) POLBPPARGMMEACECPA1
SCHEMBL2385847 0.89 POLB (0.43) POLBTP53ALDH1A1ITGB3ITGAV
SCHEMBL2386438 0.89 TP53 (0.39) POLBTP53ALDH1A1TACR1CTSL
SCHEMBL2386777 0.89 POLB (0.43) POLBTP53ALDH1A1TACR1CTSL
SCHEMBL2387334 0.89 CTSL (0.45) CTSLCTSSCTSKCTSBABCB1

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 2554/4885TP53 4380/4885ALDH1A1 755/4885

“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.