SCHEMBL524825

SCHEMBL524825

O=C(O)C(O)(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.56
CYP2C9 P11712 2/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CYP19A1 P11511 2/20 0.42
PARP1 P09874 1/20 0.42
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
PTPN1 P18031 1/20 0.40
KIF11 P52732 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MTOR P42345 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL29798769 1.00 KCNN4 (0.56) KCNN4CYP2C9CES2CES1CYP19A1
SCHEMBL28905930 0.96 KCNN4 (0.57) KCNN4CYP2C9CES2CES1CYP19A1
SCHEMBL29940807 0.96 KCNN4 (0.57) KCNN4CYP2C9CES2CES1CYP19A1
Bromomethane SCHEMBL207605 0.94 KCNN4 (0.51) KCNN4CYP2C9CES2CES1CYP19A1
SCHEMBL12350296 0.84 PTPRC (0.49) KCNN4CES2CES1NPC1MEN1
Benzylic Acid SCHEMBL3169072 0.83 CES2 (0.65) KCNN4CYP2C9CES2CES1PARP1
SCHEMBL4941607 0.81 KCNN4 (0.53) KCNN4CES2CES1CYP19A1PARP1
SCHEMBL3934832 0.81 KCNN4 (0.53) KCNN4CES2CES1CYP19A1PARP1
SCHEMBL1827704 0.81 KCNN4 (0.53) KCNN4CES2CES1CYP19A1PARP1
SCHEMBL17420738 0.80 KCNN4 (0.56) KCNN4CES2CES1CYP19A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209094-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2025-01-28 US disclosed
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-04-04 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
CN-112279808-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-29 CN disclosed
CN-112250627-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-22 CN disclosed
CN-107690281-B Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2020-11-17 CN disclosed
CN-106163517-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2020-08-14 CN disclosed
CN-110840847-A Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2020-02-28 CN disclosed
EP-2010185-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-01-07 EP disclosed
EP-2011536-A1 Inhaler Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-01-07 EP disclosed
EP-1877376-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-01-16 EP disclosed
US-20070282276-A1 PROCESS AND DEVICE FOR DOSING PHARMACEUTICAL AGENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-12-06 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 WO disclosed
US-20060134007-A1 Blister for inhalers BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-22 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 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 (6 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-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 KCNN4 4745/4885CYP2C9 1982/4885CES2 2463/4885
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 KCNN4 280/4885CYP2C9 368/4885CES2 337/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 KCNN4 1606/4885CYP2C9 1856/4885CES2 4611/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 KCNN4 248/4885CYP2C9 162/4885CES2 470/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 KCNN4 4745/4885CYP2C9 1982/4885CES2 2463/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 KCNN4 4745/4885CYP2C9 1982/4885CES2 2463/4885

“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.