SCHEMBL4849306

SCHEMBL4849306

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.61
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LTA4H P09960 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
CD274 Q9NZQ7 1/20 0.46

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
SCHEMBL4855673 1.00 SIGMAR1 (0.61) SIGMAR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL2852187 1.00 SIGMAR1 (0.61) SIGMAR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL4880197 0.86 SMN1; SMN2 (0.50) SIGMAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL28264986 0.86 SIGMAR1 (0.58) SIGMAR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL4880184 0.86 SMN1; SMN2 (0.50) SIGMAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL4885856 0.86 SMN1; SMN2 (0.50) SIGMAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL4886566 0.84 DPP7 (0.50) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4885582 0.84 HPGD (0.55) SIGMAR1ALDH1A1KMT2AMEN1POLB
SCHEMBL4886570 0.84 DPP7 (0.50) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL8996609 0.84 SIGMAR1 (0.56) 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 SIGMAR1 1339/4885ALDH1A1 1354/4885KMT2A 4504/4885

“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.