SCHEMBL4885737

SCHEMBL4885737

COc1ccc(CNC(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
CASR P41180 2/20 0.54
NPC1 O15118 2/20 0.51
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
GPR88 Q9GZN0 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL4887164 1.00 TDP1 (0.54) TDP1CASRNPC1PLA2G1BATG4B
SCHEMBL4885725 1.00 TDP1 (0.54) TDP1CASRNPC1PLA2G1BATG4B
SCHEMBL4889829 0.94 PLA2G1B (0.56) TDP1CASRNPC1PLA2G1BATG4B
SCHEMBL4888878 0.94 PLA2G1B (0.56) TDP1CASRNPC1PLA2G1BATG4B
SCHEMBL4888869 0.94 PLA2G1B (0.56) TDP1CASRNPC1PLA2G1BATG4B
SCHEMBL4846798 0.90 TDP1 (0.53) TDP1CASRNPC1PLA2G1BATG4B
SCHEMBL4849251 0.85 SMN1; SMN2 (0.56) HTTALDH1A1MEN1KMT2AATM
SCHEMBL3959553 0.85 SMN1; SMN2 (0.56) HTTALDH1A1MEN1KMT2AATM
SCHEMBL4848662 0.85 SMN1; SMN2 (0.56) HTTALDH1A1MEN1KMT2AATM
SCHEMBL4852606 0.85 PLA2G1B (0.55) TDP1CASRNPC1PLA2G1BATG4B

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 TDP1 4734/4885CASR 1413/4885NPC1 1932/4885

“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.