SCHEMBL1621373

SCHEMBL1621373

CNS(=O)(=O)c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
KAT6A Q92794 3/20 0.50
EDNRA P25101 2/20 0.49
GBA1 P04062 1/20 0.47
CYP1A2 P05177 1/20 0.47
EDNRB P24530 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL15924548 0.84 FEN1 (0.54) ALDH1A1CYP1A2ALOX5APFEN1
SCHEMBL4731653 0.84 CYP1A2 (0.55) ALDH1A1CYP1A2ALOX5APFEN1TSHR
SCHEMBL791010 0.83 PTGES2 (0.54) ALDH1A1KAT6ACYP1A2ALOX5APFEN1
SCHEMBL1028459 0.82 KAT6A (0.53) ALDH1A1KAT6AEDNRAGBA1EDNRB
SCHEMBL29689413 0.82 SLC40A1 (0.51) ALDH1A1KAT6AEDNRACYP1A2ALOX5AP
SCHEMBL8779451 0.80 KAT6A (0.51) ALDH1A1KAT6AEDNRAGBA1EDNRB
SCHEMBL1111509 0.79 NSD2 (0.50) ALDH1A1KAT6AEDNRAGBA1ALOX5AP
SCHEMBL420408 0.78 GBA1 (0.51) ALDH1A1KAT6AEDNRAGBA1EDNRB
SCHEMBL1767641 0.78 CA1 (0.56) ALDH1A1KAT6AGBA1PSEN1PSEN2
SCHEMBL15973217 0.78 KAT6A (0.50) ALDH1A1KAT6AEDNRAGBA1EDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
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-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 US disclosed
EP-3150600-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR Medshine Discovery Inc. (CN) 2017-04-05 EP disclosed
US-9556294-B2 Magnetic particle-polymer hybrid materials with functionalized polymers derived from norbornenyl reagents THE UNIVERSITY OF KANSAS (US) 2017-01-31 US disclosed
US-20150175725-A1 MAGNETIC PARTICLE-POLYMER HYBRID MATERIALS WITH FUNCTIONALIZED POLYMERS DERIVED FROM NORBORNENYL REAGENTS THE UNIVERSITY OF KANSAS (US) 2015-06-25 US disclosed
US-9035003-B2 High capacity magnetic nanoparticles as supports for reagents and catalysts THE UNIVERSITY OF KANSAS (US) 2015-05-19 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
WO-2008021733-A2 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008021871-A2 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2008002924-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-01-03 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B ALDH1A1 2294/4885KAT6A 2430/4885EDNRA 2138/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC ALDH1A1 1344/4885KAT6A 4413/4885EDNRA 4133/4885
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same XBP1, ERN1, ERN2 ALDH1A1 2570/4885KAT6A 4736/4885EDNRA 1167/4885
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF ALDH1A1 4083/4885KAT6A 3212/4885EDNRA 4423/4885

“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.