Sugi Predict

Sugi Predict / Compounds / SCHEMBL1153634

SCHEMBL1153634

SCHEMBL1153634

C[C@@H](N)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KCNN4 O15554 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ KCNA5 P22460 2/20 0.43
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL7491379 1.00 CYP2D6 (0.52) CYP2D6KDM4ELMNAALDH1A1CYP2C19
SCHEMBL7491387 1.00 CYP2D6 (0.52) CYP2D6KDM4ELMNAALDH1A1CYP2C19
SCHEMBL2034432 1.00 CYP2D6 (0.52) CYP2D6KDM4ELMNAALDH1A1CYP2C19
SCHEMBL295338 1.00 CYP2D6 (0.52) CYP2D6KDM4ELMNAALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL8841088 0.98 CYP2D6 (0.50) CYP2D6KDM4ELMNAALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL8841086 0.98 CYP2D6 (0.50) CYP2D6KDM4ELMNAALDH1A1CYP2C19
SCHEMBL5189952 0.90 KIF11 (0.47) CYP2D6KDM4ELMNAALDH1A1CYP2C19
SCHEMBL28813446 0.85 KIF11 (0.48) CYP2D6KDM4ELMNAALDH1A1CYP2C19
SCHEMBL301345 0.82 ALDH1A1 (0.57) CYP2D6KDM4ELMNAALDH1A1CYP2C19
SCHEMBL6021075 0.82 ALDH1A1 (0.57) CYP2D6KDM4ELMNAALDH1A1CYP2C19

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130253061-A1 METHOD OF DROXIDOPA SYNTHESIS CHELSEA THERAPEUTICS, INC. (US) 2013-09-26 — — US claimed
WO-2013142093-A1 METHOD FOR THE SYNTHESIS OF DROXIDOPA CHELSEA THERAPEUTICS, INC. (US) 2013-09-26 — — WO claimed
EP-0128684-A1 Process for producing 3-(3,4-dihydroxyphenyl) serine SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-12-19 — — EP claimed
JP-61207366-A — — None — — JP 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-8952185-B2 Production method of optically active dihydrobenzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-10 — — US disclosed
US-8952185-B2 Production method of optically active dihydrobenzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-10 — — US disclosed
US-8952185-B2 Production method of optically active dihydrobenzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-10 — — US disclosed
US-20130345444-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-26 — — US disclosed
WO-2013142093-A1 METHOD FOR THE SYNTHESIS OF DROXIDOPA CHELSEA THERAPEUTICS, INC. (US) 2013-09-26 — — WO disclosed
EP-0084928-B1 PROCESS FOR PRODUCING THREO-3-(3,4-DIHYDROXYPHENYL)SERINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-11 — — EP disclosed
US-4496739-A Intermediates to optically active cis-1,3-dibenzyl-hexahydro-1H-furo[3,4-d]imidazole-2,4-dione SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-29 — — US 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-0092194-A1 Method of obtaining optically active half esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-26 — — EP disclosed
EP-0084892-A2 Preparation of optically active cis-1,3-dibenzyl-hexahydro-1H-furo(3,4-d)imidazole-2,4-dione and its intermediates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-03 — — EP disclosed
EP-0084928-A1 Process for producing threo-3-(3,4-dihydroxyphenyl)serine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-03 — — EP disclosed
US-4319040-A Process for the production of optically active threo-3-(3,4-dihydroxyphenyl)serine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-09 — — US disclosed
EP-0024210-A1 Process for the production of optically active threo-3-(3,4-dihydroxyphenyl) serine, and product thus produced SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-02-25 — — 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 (3 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 CYP2D6 376/4885KDM4E 3547/4885LMNA 4273/4885
US-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DAO, DDO, DNPEP CYP2D6 467/4885KDM4E 807/4885LMNA 4594/4885
US-20130345444-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE DHPS, DHODH, DHFR CYP2D6 192/4885KDM4E 2881/4885LMNA 3128/4885

“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.