SCHEMBL644458

SCHEMBL644458

CS(=O)(=O)Nc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.60
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
NR3C2 P08235 2/20 0.57
KIF11 P52732 5/20 0.55
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
PGR P06401 1/20 0.52
MAP2K4 P45985 1/20 0.51
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 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
SCHEMBL4659812 0.94 KIF11 (0.66) KEAP1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL3314859 0.88 PGR (0.71) KEAP1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL12054668 0.87 KEAP1 (0.75) KEAP1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL20491472 0.87 NR3C2 (0.58) KEAP1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL21180504 0.85 CA1 (0.49) KEAP1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL24732420 0.80 CA1 (0.53) ALDH1A1HPGDHTTCA1CA2
SCHEMBL31041151 0.80 KIF11 (0.79) KEAP1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL20491464 0.79 LMNA (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL20491390 0.79 HPGD (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL21033855 0.78 CA1 (0.52) ALDH1A1HPGDHTTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365561-A1 BETA-LACTAMASE INHIBITORS AND THEIR PREPARATION NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-11-16 US disclosed
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR MEDSHINE DISCOVERY INC. (CN) 2023-11-02 US disclosed
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR MEDSHINE DISCOVERY INC. (CN) 2023-11-02 US disclosed
EP-3328843-B1 1,3,4-OXADIAZOLE SULFONAMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2022-10-26 EP disclosed
CN-107922362-B 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社钟根堂 2021-06-15 CN disclosed
WO-2021047674-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR 南京明德新药研发有限公司 2021-03-18 WO disclosed
WO-2020146657-A1 PI4-KINASE INHIBITORS WITH ANTI-CANCER ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-07-16 WO disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20180251437-A1 1,3,4-OXADIAZOLE SULFONAMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-09-06 US disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO disclosed
CN-1215392-A Histamine H3 receptor ligands BLACK JAMES FOUNDATION (GB) 1999-04-28 CN disclosed
US-4766243-A Electrophilic fluorination of aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1988-08-23 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 (7 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-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 KEAP1 1391/4885ALDH1A1 850/4885SMN1; SMN2 1326/4885
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 KEAP1 1006/4885ALDH1A1 1370/4885SMN1; SMN2 2653/4885
US-20180251437-A1 1,3,4-OXADIAZOLE SULFONAMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC6, HDAC2 KEAP1 628/4885ALDH1A1 176/4885SMN1; SMN2 1602/4885
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR CRBN, CRKL, NCOR1 KEAP1 1226/4885ALDH1A1 4261/4885SMN1; SMN2 2827/4885
US-20230365561-A1 BETA-LACTAMASE INHIBITORS AND THEIR PREPARATION MGAM, LCT, GANAB KEAP1 593/4885ALDH1A1 315/4885SMN1; SMN2 3622/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 KEAP1 1006/4885ALDH1A1 1370/4885SMN1; SMN2 2653/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 KEAP1 1391/4885ALDH1A1 850/4885SMN1; SMN2 1326/4885

“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.