SCHEMBL574533

SCHEMBL574533

[Na].c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.94
▸ IDO1 P14902 1/20 0.57
▸ AGXT P21549 1/20 0.55
▸ CA1 P00915 5/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA7 P43166 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ TACR1 P25103 2/20 0.48
▸ CALM1 P0DP23 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL5311581 0.97 TSHR (1.00) TSHRIDO1AGXTCA1CA2
SCHEMBL27380 0.97 TSHR (1.00) TSHRIDO1AGXTCA1CA2
Barium SCHEMBL3798966 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL10317949 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL9491202 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Water SCHEMBL10609439 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Ammonia Solution, Strong SCHEMBL8645051 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Water SCHEMBL15535487 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Hydrochloric Acid SCHEMBL11878622 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Lithium SCHEMBL586148 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630786-B2 Solid composition comprising benzyloxide, sulfonate carrier, and non-hygroscopic acid, and its use in cleaning compositions ECOLAB USA INC. (US) 2026-05-19 — — US claimed
EP-4689040-A1 SOLID BENZYLOXIDE COMPOSITIONS, METHODS OF MAKING, AND USE IN CLEANING Ecolab USA Inc. (US) 2026-02-11 — — EP claimed
WO-2024205939-A1 SOLID BENZYLOXIDE COMPOSITIONS, METHODS OF MAKING, AND USE IN CLEANING ECOLAB USA INC. (US) 2024-10-03 — — WO claimed
US-20240318100-A1 SOLID BENZYLOXIDE COMPOSITIONS, METHODS OF MAKING, AND USE IN CLEANING ECOLAB USA INC. 2024-09-26 — — US claimed
US-10968190-B2 Processes for preparing oxathiazin-like compounds GEISTLICH PHARMA AG (CH) 2021-04-06 — — US claimed
US-10662190-B2 Process for preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylate and oxalates thereof XINFA PHARMACEUTICAL CO., LTD (CN) 2020-05-26 — — US claimed
EP-3546451-A1 IMPROVED METHOD FOR PREPARATION OF 5R Xinfa Pharmaceutical Co., Ltd (CN) 2019-10-02 — — EP claimed
US-20190256514-A1 Process for Preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylate and Oxalates Thereof XINFA PHARMACEUTICAL CO., LTD (CN) 2019-08-22 — — US claimed
EP-3233813-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS Geistlich Pharma AG (CH) 2017-10-25 — — EP claimed
EP-3004047-B1 COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT LTD (IN) 2017-02-22 — — EP claimed
US-20060173063-A1 Exo-(t-butyl 2R(+))-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate, intermediates, and process to prepare and isolate them PFIZER INC. 2006-08-03 — — US claimed
EP-1599483-A1 EXO-(T-BUTYL 2R(+))-2-AMINO-7-AZABICYCLO 2.2.1 HEPTANE- 7-CARBOXYLATE, INTERMEDIATES, AND PROCESS TO PREPARE AND ISOLATE THEM Pharmacia & Upjohn Company LLC (US) 2005-11-30 — — EP claimed
EP-1591162-A1 PROCESS FOR PRODUCTION OF ETHERS KURARAY CO., LTD. (JP) 2005-11-02 — — EP claimed
WO-2004074292-A1 EXO-(T-BUTYL 2R(+))-2-AMINO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE, INTERMEDIATES, AND PROCESS TO PREPARE AND ISOLATE THEM PHARMACIA & UPJOHN COMPANY LLC (US) 2004-09-02 — — WO claimed
EP-0589034-A4 METHOD FOR MAKING 3-G(A)-HYDROXY,3-G(B)-SUBSTITUTED-PREGNANES COCENSYS INC (US) 1996-05-22 — — EP claimed
US-5319115-A Method for making 3α-hydroxy, 3β-substituted-pregnanes COCENSYS INC. (US) 1994-06-07 — — US claimed
EP-0589034-A1 METHOD FOR MAKING 3$g(a)-HYDROXY,3$g(b)-SUBSTITUTED-PREGNANES COCENSYS, INC. (US) 1994-03-30 — — EP claimed
WO-1993018053-A1 METHOD FOR MAKING 3α-HYDROXY,3β-SUBSTITUTED-PREGNANES COCENSYS, INC. (US) 1993-09-16 — — WO claimed
EP-0227450-A2 Substituted 5,6-Dialkoxyquinazoline Derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1987-07-01 — — EP claimed
US-4051320-A PROCESS FOR PREPARING ALKOXYLATED DERIVATIVES OF CEPHALOSPORIN COMPOUNDS SANKYO COMPANY LIMITED (JA) 1977-09-27 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20060173063-A1 Exo-(t-butyl 2R(+))-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate, intermediates, and process to prepare and isolate them EXOC1, EXOC3, EXOC4 TSHR 878/4885IDO1 797/4885AGXT 3069/4885
US-20190256514-A1 Process for Preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylate and Oxalates Thereof OTC, CA1, GLUL TSHR 3935/4885IDO1 2261/4885AGXT 40/4885
US-10662190-B2 Process for preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylate and oxalates thereof OTC, CA1, GLUL TSHR 3935/4885IDO1 2261/4885AGXT 40/4885
US-10968190-B2 Processes for preparing oxathiazin-like compounds DCXR, SORD, ADH1C TSHR 1284/4885IDO1 3343/4885AGXT 1048/4885
US-12630786-B2 Solid composition comprising benzyloxide, sulfonate carrier, and non-hygroscopic acid, and its use in cleaning compositions HAO2, SMCHD1, ABCB11 TSHR 3239/4885IDO1 3105/4885AGXT 1901/4885

“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.

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