SCHEMBL2386937

SCHEMBL2386937

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(C(C)C)cc1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PPARG P37231 2/20 0.44
ABCB1 P08183 2/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 1/20 0.39
ITGA4 P13612 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
SCHEMBL2901592 0.94 MEN1 (0.46) MEN1KMT2ALMNAPPARGABCB1
SCHEMBL2387351 0.92 ABCB1 (0.47) PPARGABCB1ALDH1A1ALOX15CA12
SCHEMBL2384481 0.92 MEN1 (0.43) MEN1KMT2ALMNAPPARGABCB1
SCHEMBL2388325 0.91 ABCB1 (0.41) MEN1KMT2AABCB1ALDH1A1ALOX15
SCHEMBL2388052 0.90 CTSL (0.46) PPARGABCB1ALDH1A1ALOX15TSHR
SCHEMBL2386981 0.89 ABCB1 (0.44) PPARGABCB1ALDH1A1ALOX15CA12
SCHEMBL2386712 0.89 ATM (0.49) PPARGABCB1ALDH1A1ALOX15CA12
SCHEMBL2387250 0.88 KMT2A (0.49) KMT2APPARGABCB1ATM
SCHEMBL2387117 0.88 ITGA4 (0.44) PPARGALDH1A1CA12CA2CA7
SCHEMBL2385840 0.88 ABCB1 (0.42) KMT2APPARGABCB1ALDH1A1ALOX15

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 2 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
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

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 MEN1 1396/4885KMT2A 433/4885LMNA 3492/4885

“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.