SCHEMBL7433780

SCHEMBL7433780

N[C@H](C(=O)O)C(O)c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.55
NR1I2 O75469 1/20 0.55
ADRA1A P35348 1/20 0.55
LMNA P02545 1/20 0.55
BLM P54132 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPK9 P45984 1/20 0.51
ACHE P22303 1/20 0.50
PTGS2 P35354 1/20 0.49
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
EDNRA P25101 1/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MME P08473 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL16208746 1.00 PTGS1 (0.55) PTGS1NR1I2ADRA1ALMNABLM
SCHEMBL5279500 1.00 PTGS1 (0.55) PTGS1NR1I2ADRA1ALMNABLM
Acetic Acid SCHEMBL10942103 0.96 PTGS1 (0.51) PTGS1NR1I2ADRA1ALMNABLM
Acetic Acid SCHEMBL10875129 0.96 PTGS1 (0.51) PTGS1NR1I2ADRA1ALMNABLM
SCHEMBL24517929 0.91 PTGS1 (0.60) PTGS1NR1I2ADRA1ALMNABLM
SCHEMBL16208754 0.86 EDNRA (0.45) PTGS1LMNAMAPK9PTGS2MAPK1
SCHEMBL5281154 0.86 MAPK9 (0.52) PTGS1MAPK9PTGS2MAPK1ALDH1A1
SCHEMBL8874548 0.86 MAPK9 (0.52) PTGS1MAPK9PTGS2MAPK1ALDH1A1
SCHEMBL7990464 0.84 MAPK9 (0.54) PTGS1MAPK9PTGS2MAPK1ALDH1A1
SCHEMBL18076242 0.82 EDNRA (0.51) ALDH1A1EDNRAKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920342-B2 Process for the preparation of Droxidopa DIVI'S LABORATORIES LIMITED 2018-03-20 US claimed
US-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DIVI'S LABORATORIES LIMITED (IN) 2017-11-23 US claimed
US-4562263-A HYPOTENSIVE AND HYDERTENSIVE AGENTS, ANTIDEPRESSANTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 US claimed
JP-2225480-A None JP disclosed
CN-113816943-B Resolution method of droxidopa key intermediate 重庆圣华曦药业股份有限公司 2024-02-13 CN disclosed
CN-113773297-B Resolution method of droxidopa key intermediate 重庆圣华曦药业股份有限公司 2023-12-26 CN disclosed
US-9920342-B2 Process for the preparation of Droxidopa DIVI'S LABORATORIES LIMITED 2018-03-20 US disclosed
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-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DIVI'S LABORATORIES LIMITED (IN) 2017-11-23 US disclosed
US-20130253061-A1 METHOD OF DROXIDOPA SYNTHESIS CHELSEA THERAPEUTICS, INC. (US) 2013-09-26 US disclosed
WO-2013142093-A1 METHOD FOR THE SYNTHESIS OF DROXIDOPA CHELSEA THERAPEUTICS, INC. (US) 2013-09-26 WO disclosed
JP-H02225480-A PRODUCTION OF RACEMIC MODIFICATION AND EPIMERIC ISOMER SUMITOMO PHARMACEUT CO LTD 1990-09-07 JP disclosed
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 disclosed
EP-0204481-A2 Process for optically active threo-3-(3,4-methylenedioxyphenyl) serine SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-12-10 EP disclosed
US-4562263-A HYPOTENSIVE AND HYDERTENSIVE AGENTS, ANTIDEPRESSANTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 US disclosed
EP-0084928-B1 PROCESS FOR PRODUCING THREO-3-(3,4-DIHYDROXYPHENYL)SERINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-11 EP disclosed
EP-0128684-A1 Process for producing 3-(3,4-dihydroxyphenyl) serine SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-12-19 EP disclosed
US-4480109-A Process for producing threo-3-(3,4-dihydroxyphenyl)serine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-30 US disclosed
EP-0084928-A1 Process for producing threo-3-(3,4-dihydroxyphenyl)serine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-03 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 (2 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-20130253061-A1 METHOD OF DROXIDOPA SYNTHESIS DDO, DAO, COMT PTGS1 4157/4885NR1I2 4486/4885ADRA1A 296/4885
US-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DAO, DDO, DNPEP PTGS1 4025/4885NR1I2 4717/4885ADRA1A 1236/4885

“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.