SCHEMBL4846804

SCHEMBL4846804

CC(C)[C@H](CC(=O)O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
LTA4H P09960 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43

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
SCHEMBL4850395 1.00 ADAMTS4 (0.49) ADAMTS4SIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL4846816 1.00 ADAMTS4 (0.49) ADAMTS4SIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL6374910 0.85 PLA2G1B (0.48) SIGMAR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL4854425 0.85 PLA2G1B (0.48) SIGMAR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL4885801 0.85 CTSK (0.48) ADAMTS4KMT2AMEN1POLBL3MBTL1
SCHEMBL4889212 0.85 CTSK (0.48) ADAMTS4KMT2AMEN1POLBL3MBTL1
SCHEMBL4882099 0.85 DPP7 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL4882086 0.85 DPP7 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL4885792 0.85 CTSK (0.48) ADAMTS4KMT2AMEN1POLBL3MBTL1
SCHEMBL6374915 0.85 ANPEP (0.47) SIGMAR1ALDH1A1KMT2AMEN1MAPT

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
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 ADAMTS4 2783/4885SIGMAR1 1339/4885ALDH1A1 1354/4885

“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.