SCHEMBL5899043

SCHEMBL5899043

C=CCOC(=O)CCCN[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ FOLH1 Q04609 7/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PLA2G2A P14555 2/20 0.35
▸ PLA2G5 P39877 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CAPN1 P07384 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MME P08473 1/20 0.33

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
SCHEMBL5899071 0.83 TSHR (0.51) TSHRTDP1ALDH1A1GAAEPHX2
SCHEMBL10501285 0.77 TSHR (0.51) TSHRTDP1ALDH1A1GAAEPHX2
SCHEMBL8100012 0.77 TSHR (0.51) TSHRTDP1ALDH1A1GAAEPHX2
SCHEMBL10606206 0.77 TSHR (0.51) TSHRTDP1ALDH1A1GAAEPHX2
SCHEMBL6432779 0.74 ALDH1A1 (0.41) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL2511764 0.74 ALDH1A1 (0.53) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL2402155 0.74 ALDH1A1 (0.51) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL8951293 0.74 ALDH1A1 (0.51) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL12629241 0.73 TSHR (0.61) TSHRTDP1ALDH1A1GAAEPHX2
SCHEMBL28931215 0.73 TSHR (0.61) TSHRTDP1ALDH1A1GAAEPHX2

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-7045592-B2 Processes for coupling amino acids using bis-(trichloromethyl) carbonate DEVELOGEN ISRAEL LTD. (IL) 2006-05-16 — — US disclosed
US-20030195331-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PEPTOR LTD. (IL) 2003-10-16 — — US disclosed
US-6512092-B2 Solid phase peptide synthesis; in situ generation of amino acid chloride by deblocking; coupling sterically hindered amino acid residues PEPTOR LTD. (IL) 2003-01-28 — — US disclosed
US-20010007037-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate FALB ELIEZER (IL) 2001-07-05 — — 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 (2 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-20010007037-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PTMS, BCAT1, DAO TSHR 453/4885TDP1 2191/4885ALDH1A1 4814/4885
US-20030195331-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PTMS, BCAT1, DAO TSHR 453/4885TDP1 2191/4885ALDH1A1 4814/4885

“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.

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