SCHEMBL10600115

SCHEMBL10600115

CC(=O)N[C@H](C(=O)O)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 11/20 0.55
BLM P54132 7/20 0.55
LMNA P02545 5/20 0.55
NR1I2 O75469 1/20 0.55
PTGS1 P23219 1/20 0.55
ADRA1A P35348 1/20 0.55
KDM4E B2RXH2 11/20 0.48
MAPT P10636 7/20 0.48
HSD17B10 Q99714 5/20 0.48
TSHR P16473 4/20 0.48
NFKB1 P19838 4/20 0.48
HIF1A Q16665 4/20 0.48
ADRB2 P07550 4/20 0.48
THPO P40225 3/20 0.48
CYP1A2 P05177 2/20 0.48
GAA P10253 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
SLC6A2 P23975 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RECQL P46063 5/20 0.47

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
SCHEMBL7270905 0.84 TDP1 (0.58) TDP1BLMLMNANR1I2PTGS1
SCHEMBL30268632 0.84 TDP1 (0.58) TDP1BLMLMNANR1I2PTGS1
SCHEMBL10039785 0.84 TDP1 (0.58) TDP1BLMLMNANR1I2PTGS1
SCHEMBL7270873 0.84 TDP1 (0.58) TDP1BLMLMNANR1I2PTGS1
SCHEMBL19422383 0.82 TDP1 (0.60) TDP1BLMLMNANR1I2PTGS1
SCHEMBL17385607 0.81 ADRB2 (0.57) TDP1BLMLMNANR1I2PTGS1
SCHEMBL10763030 0.80 TDP1 (0.54) TDP1BLMLMNANR1I2PTGS1
SCHEMBL10763032 0.80 TDP1 (0.54) TDP1BLMLMNANR1I2PTGS1
SCHEMBL10778817 0.79 LMNA (0.42) TDP1LMNAKDM4EMAPTCYP1A2
SCHEMBL10778827 0.79 LMNA (0.42) TDP1LMNAKDM4EMAPTCYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0141613-B1 A PROCESS FOR PRODUCING AN OPTICALLY ACTIVE 3-(3,4-DIHYDROXPHENYL) SERINE AND A PROTECED DERIVATIVE THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-02-01 EP claimed
US-9920342-B2 Process for the preparation of Droxidopa DIVI'S LABORATORIES LIMITED 2018-03-20 US disclosed
US-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DIVI'S LABORATORIES LIMITED (IN) 2017-11-23 US disclosed
US-4699879-A ENZYMIC DEACYLATION ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-10-13 US disclosed
EP-0141613-A2 A process for producing an optically active 3-(3,4-dihydroxphenyl) serine and a proteced derivative thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-05-15 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-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DAO, DDO, DNPEP TDP1 2816/4885BLM 4884/4885LMNA 4594/4885

“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.