Sugi Predict

Sugi Predict / Compounds / SCHEMBL3607843

SCHEMBL3607843

SCHEMBL3607843

N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.66
▸ TAAR1 Q96RJ0 4/20 0.62
▸ SLC6A2 P23975 2/20 0.62
▸ SLC6A3 Q01959 2/20 0.62
▸ CYP3A4 P08684 4/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ SLC7A5 Q01650 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ EGFR P00533 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ FYN P06241 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ PTGS2 P35354 1/20 0.55

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
SCHEMBL3607848 1.00 SLC6A4 (0.66) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL28265941 0.98 SLC6A4 (0.64) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL11158645 0.98 SLC6A4 (0.64) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
Trifluoroacetic Acid SCHEMBL28868211 0.92 SLC6A4 (0.56) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
SCHEMBL3788967 0.91 SLC7A5 (0.55) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
SCHEMBL1744966 0.91 SLC7A5 (0.55) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL27577123 0.90 SLC6A4 (0.54) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL27577124 0.90 SLC6A4 (0.54) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
SCHEMBL28567121 0.88 SLC6A4 (0.66) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
SCHEMBL10888091 0.87 SLC6A4 (0.51) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 — — EP claimed
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 — — US claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 — — EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 — — US claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 — — WO claimed
JP-62289194-A — — None — — JP disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 — — EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 — — US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 — — US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 — — US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 — — EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 — — 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
US-4020060-A ANTIBACTERIAL, ANTIBIOTICS RICHARDSON-MERRELL INC. (US) 1977-04-26 — — US disclosed
US-4016037-A FERMENTING A HYDANTOIN COMPOUND WITH FLAVOBACTERIUM AMINOGENES OR ITS ENZYMES AJINOMOTO CO., INC. (JA) 1977-04-05 — — US disclosed
US-3994877-A 6-[α-AMINO-ω-(3,4-METHYLENEDIOXYPHENYL)ACYLAMIDO]PENICILLANIC ACID DERIVATIVES RICHARDSON-MERRELL INC. (US) 1976-11-30 — — US disclosed
US-3991077-A SOLVENT AJINOMOTO CO., INC. (JA) 1976-11-09 — — US 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SLC6A4 149/4885TAAR1 1/4885SLC6A2 82/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SLC6A4 111/4885TAAR1 1/4885SLC6A2 65/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R SLC6A4 149/4885TAAR1 1/4885SLC6A2 82/4885

“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.