SCHEMBL2387785

SCHEMBL2387785

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
ITGA4 P13612 2/20 0.41
ITGB7 P26010 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MIF P14174 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP3 Q96P20 1/20 0.38
GAA P10253 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CTRB1 P17538 2/20 0.38
CTSL P07711 2/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2384299 0.93 ABCB1 (0.39) ABCB1ITGA4ITGB7ALDH1A1CTRB1
SCHEMBL2387351 0.91 ABCB1 (0.47) ABCB1ALDH1A1ALOX15CA12CA2
SCHEMBL2388080 0.91 ABCB1 (0.42) ABCB1ALDH1A1ALOX15CA12CA2
SCHEMBL2386217 0.90 ALDH1A1 (0.48) ABCB1ITGA4ITGB7ALDH1A1ALOX15
SCHEMBL2388052 0.89 CTSL (0.46) ABCB1ALDH1A1ALOX15MIFCTSL
SCHEMBL2384449 0.89 MME (0.49) ABCB1ITGA4ITGB7ALDH1A1ALOX15
SCHEMBL2388337 0.89 ABCB1 (0.41) ABCB1ALDH1A1ALOX15CA12CA2
SCHEMBL2386839 0.88 ITGA4 (0.47) ITGA4ITGB7ALDH1A1CA12CA2
SCHEMBL2385581 0.87 ABCB1 (0.40) ABCB1ALDH1A1ALOX15PPARG
SCHEMBL2388163 0.86 NOS2 (0.44) ABCB1ALDH1A1ALOX15CA12CA2

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.