SCHEMBL789994

SCHEMBL789994

NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
CA2 P00918 6/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
SOS1 Q07889 1/20 0.47
AKR1B1 P15121 1/20 0.46
PTGES2 Q9H7Z7 6/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.42
CCR2 P41597 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
TET2 Q6N021 1/20 0.41

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
SCHEMBL29556118 1.00 PTGS1 (0.48) PTGS1PTGS2CA2CA12CA1
Hydrochloric Acid SCHEMBL29968814 0.98 PTGS1 (0.47) PTGS1PTGS2CA2CA12CA1
Iodide SCHEMBL28547721 0.98 PTGS1 (0.47) PTGS1PTGS2CA2CA12CA1
SCHEMBL28119649 0.94 PTGES2 (0.45) PTGS1PTGS2CA2CA12CA1
Formic Acid SCHEMBL14247448 0.90 PTGES2 (0.43) PTGS1PTGS2CA2CA12CA1
SCHEMBL1127112 0.86 PTGES2 (0.49) PTGS1PTGS2CA2CA12CA1
SCHEMBL29721599 0.86 PTGES2 (0.49) PTGS1PTGS2CA2CA12CA1
Trifluoroacetic Acid SCHEMBL30333729 0.86 NR3C2 (0.42) PTGS1PTGS2CA2CA12CA1
Pyridine SCHEMBL790951 0.86 PTGS1 (0.43) PTGS1PTGS2CA2CA12CA1
Hydrochloric Acid SCHEMBL1554456 0.84 PTGES2 (0.47) PTGS1PTGS2CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO claimed
CN-116987061-A 4-methyl quinazoline derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-11-03 CN claimed
CN-114432903-B Composite membrane with acid resistance and preparation method and application thereof 中国石油化工股份有限公司 2023-03-14 CN claimed
CN-111646973-B Polysubstituted quinazoline derivative and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-19 CN claimed
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US claimed
CN-111646973-A Polysubstituted quinazoline derivative and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-09-11 CN claimed
CN-109134391-A A kind of acyl sulfonamides analog derivative and the preparation method and application thereof 山东大学 2019-01-04 CN claimed
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2018-07-05 US claimed
JP-4801724-B2 2011-10-26 JP claimed
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US claimed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US claimed
WO-2009009768-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-β DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUDS ACUMEN PHARMACEUTICALS, INC. (US) 2009-01-15 WO claimed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP claimed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP claimed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO claimed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO claimed
EP-1054886-B1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-09-04 EP claimed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO 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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E PTGS1 1551/4885PTGS2 2795/4885CA2 2459/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 PTGS1 1208/4885PTGS2 2444/4885CA2 2597/4885
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS APP, APBA1, BACE1 PTGS1 1846/4885PTGS2 2279/4885CA2 2147/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 PTGS1 3105/4885PTGS2 3315/4885CA2 4235/4885
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 PTGS1 174/4885PTGS2 681/4885CA2 2509/4885

“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.