SCHEMBL2970964

SCHEMBL2970964

OCc1ccc(CO)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
SNCA P37840 1/20 0.39
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CA1 P00915 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.34
ENPP2 Q13822 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP6 P55212 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL7163994 0.86 SNCA (0.37) EGFRSNCATSHRP4HB
SCHEMBL2666218 0.85 EGFR (0.40) EGFRSNCACA2CA12CA4
SCHEMBL14769310 0.85 ABAT (0.38) SNCACA2CA12CA4CA6
SCHEMBL10264740 0.85 CA2 (0.36) EGFRSNCACA2CA12CA4
SCHEMBL6224881 0.81 TAAR1 (0.47) SNCATSHRRECQLKDM4ESLC6A2
SCHEMBL29171915 0.81 CNR1 (0.46) SNCACA2
SCHEMBL6705605 0.81 TAAR1 (0.48) SNCARECQLKDM4ESLC6A2SLC6A3
SCHEMBL16951823 0.81 CNR2 (0.37) EGFRSNCACA2SLC6A2SLC6A4
SCHEMBL29586802 0.81 EGFR (0.39) EGFRSNCACA2CA12CA4
SCHEMBL5936407 0.81 EGFR (0.39) EGFRSNCACA2CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
CN-117050126-A Novel preparation method of key isomer of tolagliflozin 南京华威医药科技集团有限公司 2023-11-14 CN disclosed
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
CN-116655718-A Togliflozin five-membered ring impurity and preparation method thereof 南京华威医药科技集团有限公司 2023-08-29 CN disclosed
US-20220298179-A1 PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES SAINT JOSEPH'S UNIVERSITY 2022-09-22 US disclosed
US-11427603-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles UNIVERSITY OF THE SCIENCES (US) 2022-08-30 US disclosed
US-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-02-24 US disclosed
US-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-02-24 US disclosed
US-6509507-B2 Reacting a 6-membered aromatic ring with 1,4- position ester or benzylic OH groups with a second aromatic in a palladium catalyzed cross-coupling; electroluminescence AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2003-01-21 US disclosed
US-6458909-B1 SOLID-STATE LIGHT SOURCES FOR A SERIES OF APPLICATIONS, PREDOMINANTLY IN THE FIELD OF DISPLAY ELEMENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-20020087030-A1 Polymerizable biaryls, process for their preparation and their use MERCK PATENT GMBH (DE) 2002-07-04 US disclosed
EP-0944569-B1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF CELANESE VENTURES GMBH (DE) 2002-04-10 EP disclosed
EP-0944663-B1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS CELANESE VENTURES GMBH (DE) 2002-03-27 EP disclosed
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 US disclosed
EP-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 EP disclosed
EP-0944569-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-29 EP disclosed
WO-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed
WO-1998025874-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-18 WO 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 (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-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles TXN2, ABCB7, TXN EGFR 4674/4885SNCA 1139/4885CA2 1060/4885
US-11427603-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles ABCB7, TXN2, PRDX3 EGFR 4655/4885SNCA 1398/4885CA2 1202/4885
US-20220298179-A1 PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES TXN2, ABCB7, TXN EGFR 4674/4885SNCA 1139/4885CA2 1060/4885
US-20020087030-A1 Polymerizable biaryls, process for their preparation and their use PAH, TYR, PAICS EGFR 1174/4885SNCA 150/4885CA2 4541/4885
US-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A EGFR 4818/4885SNCA 1611/4885CA2 3329/4885

“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.