SCHEMBL4846856

SCHEMBL4846856

COC(=O)CC(NCc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
GPR55 Q9Y2T6 2/20 0.47
TP53 P04637 1/20 0.47
HTR1A P08908 1/20 0.47
CNR1 P21554 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
GSK3B P49841 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EDNRA P25101 3/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 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
SCHEMBL4850864 0.90 KMT2A (0.46) RAB9AKMT2AMEN1SMN1; SMN2TP53
SCHEMBL4851332 0.89 MEN1 (0.60) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4855345 0.88 GSK3B (0.51) RAB9AKMT2AMEN1GSK3BALDH1A1
SCHEMBL4854580 0.88 GSK3B (0.51) RAB9AKMT2AMEN1GSK3BALDH1A1
SCHEMBL20217881 0.82 RAB9A (0.62) RAB9AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8829420 0.82 RAB9A (0.62) RAB9AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8996527 0.80 MEN1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8996556 0.80 MEN1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4852674 0.80 MEN1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4854018 0.79 TNF (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA

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 RAB9A 1336/4885KMT2A 4504/4885MEN1 3529/4885

“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.