SCHEMBL4849622

SCHEMBL4849622

O=C(O)[C@H](Cc1ccc2c(c1)OCO2)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
HPGD P15428 4/20 0.59
MME P08473 1/20 0.58
ACE P12821 1/20 0.58
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
GSK3B P49841 1/20 0.55
ITGB1 P05556 1/20 0.55
ITGA4 P13612 1/20 0.55
LMNA P02545 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.51
ALOX12 P18054 2/20 0.51
MAPT P10636 2/20 0.51

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
SCHEMBL11343509 0.95 HPGD (0.60) ALDH1A1HPGDMMEACERAB9A
SCHEMBL7445244 0.81 NPC1 (0.61) ALDH1A1HPGDMMEACERAB9A
SCHEMBL25358418 0.81 TAAR1 (0.62) ALDH1A1HPGDMMEACE
SCHEMBL26008175 0.81 TAAR1 (0.62) ALDH1A1HPGDMMEACE
SCHEMBL8409073 0.81 HPGD (0.77) ALDH1A1HPGDMMEACERAB9A
SCHEMBL7834954 0.81 HPGD (0.77) ALDH1A1HPGDMMEACERAB9A
SCHEMBL31468730 0.80 TAAR1 (0.65) ALDH1A1HPGDRAB9ANPC1LMNA
SCHEMBL5299284 0.80 TAAR1 (0.65) ALDH1A1HPGDRAB9ANPC1LMNA
SCHEMBL4997864 0.80 LMNA (0.59) ALDH1A1HPGDMMEACERAB9A
SCHEMBL25229487 0.79 MEN1 (0.62) ALDH1A1HPGDRAB9ANPC1GSK3B

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 1354/4885HPGD 470/4885MME 895/4885

“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.