SCHEMBL351860

SCHEMBL351860

NC(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.53
KCNK3 O14649 4/20 0.49
KCNK9 Q9NPC2 4/20 0.49
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL29710969 1.00 CTNNB1 (0.55) CTNNB1IRAK4KCNK3KCNK9KDM4E
Hydrochloric Acid SCHEMBL4379608 0.98 CTNNB1 (0.53) CTNNB1IRAK4KCNK3KCNK9KDM4E
Hydrochloric Acid SCHEMBL1267297 0.98 CTNNB1 (0.53) CTNNB1IRAK4KCNK3KCNK9KDM4E
SCHEMBL15391364 0.86 SCN9A (0.50) CTNNB1CYP3A4ALDH1A1SCN9A
SCHEMBL5784212 0.84 ELANE (0.52) KCNK3KCNK9ALDH1A1HSD11B1RXFP1
SCHEMBL5785861 0.84 CTNNB1 (0.44) CTNNB1IRAK4MAPTPARP1HSD11B1
SCHEMBL3548983 0.84 IRAK4 (0.53) CTNNB1IRAK4KDM4EMAPTHTT
SCHEMBL30881819 0.84 SCN9A (0.44) CTNNB1IRAK4KCNK3KCNK9CYP3A4
SCHEMBL12480740 0.84 SCN9A (0.44) CTNNB1IRAK4KCNK3KCNK9CYP3A4
SCHEMBL4155251 0.83 CTNNB1 (0.68) CTNNB1IRAK4MAPTMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3612180-B1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A UNIV CALIFORNIA (US) 2023-10-11 EP claimed
EP-4168399-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-04-26 EP claimed
WO-2023046117-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF 3H PHARMACEUTICALS CO., LTD. (CN) 2023-03-30 WO claimed
WO-2021258272-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2021-12-30 WO claimed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US claimed
EP-3761791-A1 USE OF HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES IN PLANT PROTECTION Bayer Aktiengesellschaft (DE) 2021-01-13 EP claimed
EP-3697791-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-08-26 EP claimed
WO-2020119896-A1 HETEROCYCLIC INHIBITORS OF ATX F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO claimed
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-06-11 US claimed
US-20200123128-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-23 US claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
EP-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 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 (3 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-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, AMPD2 CTNNB1 2387/4885IRAK4 204/4885KCNK3 3081/4885
US-20200123128-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A TMEM161A, ANO2, TRPV6 CTNNB1 2151/4885IRAK4 1616/4885KCNK3 285/4885
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, AMPD2 CTNNB1 2387/4885IRAK4 204/4885KCNK3 3081/4885

“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.