SCHEMBL4888869

SCHEMBL4888869

COc1ccc([C@H](CC(=O)O)NCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CTSA P10619 1/20 0.50
GPR88 Q9GZN0 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CASR P41180 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4889829 1.00 PLA2G1B (0.56) PLA2G1BATG4BCNR2ALDH1A1THRB
SCHEMBL4888878 1.00 PLA2G1B (0.56) PLA2G1BATG4BCNR2ALDH1A1THRB
SCHEMBL4885737 0.94 TDP1 (0.54) PLA2G1BATG4BALDH1A1THRBHPGD
SCHEMBL4887164 0.94 TDP1 (0.54) PLA2G1BATG4BALDH1A1THRBHPGD
SCHEMBL4885725 0.94 TDP1 (0.54) PLA2G1BATG4BALDH1A1THRBHPGD
SCHEMBL4852606 0.90 PLA2G1B (0.55) PLA2G1BATG4BCNR2ALDH1A1NPC1
SCHEMBL4849249 0.86 PLA2G1B (0.51) PLA2G1BATG4BCNR2ALDH1A1THRB
SCHEMBL4849251 0.85 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL4848662 0.85 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL3959553 0.85 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2AATML3MBTL1

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 PLA2G1B 366/4885ATG4B 1466/4885CNR2 1070/4885

“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.