SCHEMBL5899071

SCHEMBL5899071

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.42
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ CASP1 P29466 3/20 0.32
▸ MAPT P10636 2/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31

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
SCHEMBL5899043 0.83 TSHR (0.47) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL12629241 0.77 TSHR (0.61) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL1414996 0.76 ALDH1A1 (0.47) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL28249376 0.76 TSHR (0.70) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL5718452 0.76 ALDH1A1 (0.47) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL27680065 0.76 TSHR (0.46) TSHRALDH1A1SMN1; SMN2FAAH
SCHEMBL7872488 0.76 TSHR (0.51) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL10606206 0.75 TSHR (0.51) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL8100012 0.75 TSHR (0.51) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL10501285 0.75 TSHR (0.51) TSHRALDH1A1GAATDP1EPHX2

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 8 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
EP-1097164-A4 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD (IL) 2005-05-25 — — EP 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
CN-1317011-A Process for couping amino acids using bis-(trichloromethyl) carbonate PEPTOR LTD (IL) 2001-10-10 — — CN disclosed
US-20010007037-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate FALB ELIEZER (IL) 2001-07-05 — — US disclosed
EP-1097164-A1 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD (IL) 2001-05-09 — — EP disclosed
WO-2000002898-A1 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD. (IL) 2000-01-20 — — WO 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 453/4885ALDH1A1 4814/4885GAA 2930/4885
US-20030195331-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PTMS, BCAT1, DAO TSHR 453/4885ALDH1A1 4814/4885GAA 2930/4885

“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.

Send feedback