SCHEMBL71942

SCHEMBL71942

O=C(O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.59
CYP2D6 P10635 1/20 0.55
HIF1A Q16665 1/20 0.55
KCNN4 O15554 8/20 0.50
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
RAB9A P51151 3/20 0.43
USP2 O75604 1/20 0.43
PLK4 O00444 1/20 0.42
DAPK3 O43293 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
ERBB2 P04626 1/20 0.42
PRKCG P05129 1/20 0.42
PIM1 P11309 1/20 0.42
PHKG2 P15735 1/20 0.42
CDK2 P24941 1/20 0.42
AXL P30530 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42

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
SCHEMBL3227012 0.94 CYP2C9 (0.64) CYP2C9CYP2D6HIF1AKCNN4KCNE1
Bromomethane SCHEMBL208552 0.94 CYP2C9 (0.55) CYP2C9CYP2D6HIF1AKCNN4KCNE1
SCHEMBL28905903 0.90 CYP2C9 (0.52) CYP2C9CYP2D6HIF1AKCNN4KCNE1
Bromoethane SCHEMBL221234 0.88 CYP2C9 (0.50) CYP2C9CYP2D6HIF1AKCNN4KCNE1
SCHEMBL4619076 0.85 CYP2C9 (0.55) CYP2C9CYP2D6HIF1AKCNN4KCNE1
SCHEMBL6785893 0.82 CYP2C9 (0.45) CYP2C9CYP2D6HIF1AKCNN4KCNE1
SCHEMBL71941 0.81 KCNN4 (0.50) CYP2C9CYP2D6KCNN4RAB9AUSP2
SCHEMBL3163440 0.81 CYP2C9 (0.59) CYP2C9CYP2D6HIF1ARAB9AGSK3B
Imidazole SCHEMBL10563012 0.80 CYP2C9 (0.41) CYP2C9CYP2D6HIF1AKCNN4KCNE1
SCHEMBL29211165 0.78 KCNN4 (0.64) KCNN4KCNE1KCNQ1RAB9AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 EP disclosed
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-115108901-A Synthetic method of alpha-hydroxycarboxylic acid compound 四川大学 2022-09-27 CN 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-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ANOVENT PHARMACEUTICAL (U.S.), LLC (US) 2022-06-28 US 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
WO-2003064418-A1 ANTICHOLINERGIC AGENTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 WO disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
EP-1325001-A1 ANTICHOLINERGIC AGENTS THAT CAN BE USED AS MEDICAMENTS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-09 EP disclosed
EP-1200431-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL PRODESFARMA AG (CH) 2003-03-26 EP disclosed
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease ALMIRALL, S.A. (ES) 2003-03-20 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
US-20020115680-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 US disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed
WO-2002032899-A1 NOVEL ANTICHOLINERGIC AGENTS THAT CAN BE USED AS MEDICAMENTS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed
US-4855422-A Process for the preparation of azoniaspironortropanol esters MADAUS GMBH & CO. (DE) 1989-08-08 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 (8 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-20020115680-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them CHRM2, CHRM1, CHRM5 CYP2C9 748/4885CYP2D6 97/4885HIF1A 3265/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CYP2C9 1982/4885CYP2D6 1790/4885HIF1A 422/4885
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CYP2C9 368/4885CYP2D6 162/4885HIF1A 3172/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 CYP2C9 1856/4885CYP2D6 2124/4885HIF1A 2418/4885
US-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ADRB2, ADRB1, ADRA2B CYP2C9 3152/4885CYP2D6 1602/4885HIF1A 3548/4885
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease NR1H4, CHRM3, CHRM4 CYP2C9 810/4885CYP2D6 336/4885HIF1A 2655/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CYP2C9 1982/4885CYP2D6 1790/4885HIF1A 422/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CYP2C9 1982/4885CYP2D6 1790/4885HIF1A 422/4885

“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.