SCHEMBL2387384

SCHEMBL2387384

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1cc(C)cc(C)c1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.46
TACR1 P25103 1/20 0.44
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
ACE P12821 1/20 0.44
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
REN P00797 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CTSS P25774 2/20 0.39
POLB P06746 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
APP P05067 1/20 0.38

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
SCHEMBL2386456 0.93 POLB (0.44) KLK5TACR1ITGA4ITGB7ACE
SCHEMBL2385883 0.93 TACR1 (0.43) KLK5TACR1ITGA4ITGB7ACE
SCHEMBL2385485 0.93 ITGA4 (0.49) KLK5ITGA4ITGB7ACEKMT2A
SCHEMBL2388324 0.92 ATM (0.47) KLK5ITGA4ITGB7ACEATM
SCHEMBL2384999 0.88 POLB (0.43) KLK5ITGA4ITGB7ACEKMT2A
SCHEMBL2385464 0.88 TACR1 (0.51) TACR1KMT2AATML3MBTL1ALDH1A1
SCHEMBL2385950 0.88 ITGA4 (0.47) KLK5ITGA4ITGB7ACECTSS
SCHEMBL2385034 0.88 ITGA4 (0.45) KLK5ITGA4ITGB7ACEATM
SCHEMBL2385452 0.87 NOS3 (0.42) KLK5TACR1ITGA4ITGB7ACE
SCHEMBL2386287 0.87 ITGA4 (0.45) KLK5ITGA4ITGB7ACEKMT2A

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 KLK5 1219/4885TACR1 2660/4885ITGA4 4819/4885

“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.