SCHEMBL2385489

SCHEMBL2385489

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(OC)c(OC)c1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LDHA P00338 1/20 0.46
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
CAPN1 P07384 3/20 0.41
MMP1 P03956 4/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL2385817 0.93 KMT2A (0.50) FPR2KMT2AMEN1LDHAITGA4
SCHEMBL2387351 0.90 ABCB1 (0.47) ALDH1A1ALOX15PPARG
SCHEMBL2388329 0.89 FPR2 (0.49) FPR2KMT2AMEN1LDHAITGA4
SCHEMBL2387250 0.88 KMT2A (0.49) FPR2KMT2ALDHAMMP2MMP9
SCHEMBL2388052 0.88 CTSL (0.46) ALDH1A1ALOX15PPARG
SCHEMBL2386311 0.87 POLB (0.48) FPR2ALDH1A1ALOX15
SCHEMBL2385072 0.87 POLB (0.44) ALDH1A1ALOX15PPARG
SCHEMBL2388163 0.87 NOS2 (0.44) FPR2ALDH1A1ALOX15
SCHEMBL2386981 0.87 ABCB1 (0.44) ITGA4ITGB7ALDH1A1ALOX15PPARG
SCHEMBL2386712 0.87 ATM (0.49) ITGA4ITGB7ALDH1A1ALOX15PPARG

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 FPR2 3196/4885KMT2A 433/4885MEN1 1396/4885

“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.