SCHEMBL4882618

SCHEMBL4882618

O=C(O)C[C@@H](NCc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.43
ACP3 P15309 3/20 0.43
OPRM1 P35372 3/20 0.42
OPRK1 P41145 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL4886370 1.00 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1SMN1; SMN2HIF1A
SCHEMBL4882635 1.00 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1SMN1; SMN2HIF1A
SCHEMBL4882247 0.94 SMN1; SMN2 (0.46) ALDH1A1ATML3MBTL1SMN1; SMN2ACP3
SCHEMBL4882234 0.94 SMN1; SMN2 (0.46) ALDH1A1ATML3MBTL1SMN1; SMN2ACP3
SCHEMBL4885522 0.94 SMN1; SMN2 (0.46) ALDH1A1ATML3MBTL1SMN1; SMN2ACP3
SCHEMBL4848662 0.90 SMN1; SMN2 (0.56) ALDH1A1ATML3MBTL1SMN1; SMN2ACP3
SCHEMBL4849251 0.90 SMN1; SMN2 (0.56) ALDH1A1ATML3MBTL1SMN1; SMN2ACP3
SCHEMBL3959553 0.90 SMN1; SMN2 (0.56) ALDH1A1ATML3MBTL1SMN1; SMN2ACP3
SCHEMBL4883244 0.86 SMN1; SMN2 (0.56) ALDH1A1ATML3MBTL1SMN1; SMN2
SCHEMBL4883253 0.86 SMN1; SMN2 (0.56) ALDH1A1ATML3MBTL1SMN1; SMN2

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 ALDH1A1 1354/4885ATM 3793/4885L3MBTL1 4360/4885

“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.