SCHEMBL1764024

SCHEMBL1764024

CC(Br)CCC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TPSAB1 Q15661 2/20 0.32
TPSD1 Q9BZJ3 2/20 0.32
TPSG1 Q9NRR2 2/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1763982 0.85 MEN1 (0.35) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL28363935 0.83 MEN1 (0.36) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL28363933 0.83 MEN1 (0.36) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL28884876 0.81 MEN1 (0.37) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL28659211 0.81 HDAC1 (0.42) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL28884875 0.81 MEN1 (0.37) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL16284725 0.81 HDAC1 (0.42) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL20743507 0.81 MEN1 (0.37) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL20743509 0.81 MEN1 (0.37) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL3626322 0.80 CYP1A2 (0.38) MEN1GAAKMT2ATPSAB1TPSD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431738-B2 Optically active α-amino acid into which BSH is introduced and method for synthesizing the same STELLA PHARMA CORPORATION (JP) 2013-04-30 US disclosed
US-20110124914-A1 OPTICALLY ACTIVE ALPHA-AMINO ACID INTO WHICH BSH IS INTRODUCED AND METHOD FOR SYNTHESIZING THE SAME STELLA PHARMA CORPORATION (JP) 2011-05-26 US disclosed
EP-2319850-A1 OPTICALLY ACTIVE -AMINO ACID INTO WHICH BSH IS INTRODUCED AND METHOD FOR SYNTHESIZING THE SAME Stella Pharma Corporation (JP) 2011-05-11 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-20110124914-A1 OPTICALLY ACTIVE ALPHA-AMINO ACID INTO WHICH BSH IS INTRODUCED AND METHOD FOR SYNTHESIZING THE SAME BCAT1, BCAT2, CTH MEN1 867/4885GAA 1498/4885KMT2A 2634/4885

“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.