SCHEMBL4029025

SCHEMBL4029025

CNS(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 15/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 2/20 0.51
SLC22A6 Q4U2R8 2/20 0.51
SLC22A8 Q8TCC7 2/20 0.51
SLC22A11 Q9NSA0 2/20 0.51
KAT6A Q92794 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL17549760 0.84 ALDH1A1 (0.47) SLC22A12ALDH1A1
SCHEMBL6732196 0.83 SLC22A12 (0.57) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL17698979 0.82 SLC22A12 (0.60) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL422146 0.81 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL29536289 0.81 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL1767681 0.81 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL10143548 0.80 SLC22A12 (0.70) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL4731653 0.79 CYP1A2 (0.55) ALDH1A1
SCHEMBL3769130 0.78 SLC22A12 (0.70) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL515098 0.78 KMT2A (0.56) SLC22A12MEN1KMT2AALDH1A1CYP2C9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110857278-B Method for synthesizing N-methylsulfonamide in water 南京理工大学 2022-04-15 CN disclosed
CN-110857278-A Method for synthesizing N-methylsulfonamide in water 南京理工大学 2020-03-03 CN disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US disclosed
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
EP-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2004085400-A1 SUBSTITUTED PYRI(MI)DIN(THIO)CARBOXAMIDES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2004-10-07 WO disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 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 (4 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 SLC22A12 1107/4885MEN1 4618/4885KMT2A 3755/4885
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B SLC22A12 1209/4885MEN1 4753/4885KMT2A 1631/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA SLC22A12 2639/4885MEN1 4630/4885KMT2A 1656/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B SLC22A12 1209/4885MEN1 4753/4885KMT2A 1631/4885

“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.