SCHEMBL2388080

SCHEMBL2388080

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccccc1C)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.42
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CTRB1 P17538 2/20 0.37
CTSL P07711 2/20 0.37
ATM Q13315 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TACR1 P25103 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL2385820 0.93 ABCB1 (0.40) ABCB1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2387785 0.91 ABCB1 (0.43) ABCB1ALDH1A1ALOX15GAATRPM8
SCHEMBL2387351 0.90 ABCB1 (0.47) ABCB1ALDH1A1ALOX15TRPM8CTRB1
SCHEMBL2384477 0.89 ITGA4 (0.44) OPRK1ALDH1A1L3MBTL1GAACTSL
SCHEMBL2386217 0.89 ALDH1A1 (0.48) ABCB1OPRK1ALDH1A1ALOX15NPC1
SCHEMBL2385684 0.88 KMT2A (0.41) ABCB1ALDH1A1ALOX15ATM
SCHEMBL2384449 0.88 MME (0.49) ABCB1OPRK1ALDH1A1ALOX15GAA
SCHEMBL2388337 0.88 ABCB1 (0.41) ABCB1ALDH1A1ALOX15GAATRPM8
SCHEMBL2386712 0.87 ATM (0.49) ABCB1ALDH1A1ALOX15L3MBTL1CTSL
SCHEMBL2385581 0.86 ABCB1 (0.40) ABCB1ALDH1A1ALOX15

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 3860/4885OPRK1 3720/4885ALDH1A1 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.