SCHEMBL777758

SCHEMBL777758

FC(F)(F)c1ccc2sc(Cl)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.52
ILK Q13418 2/20 0.49
EPHX2 P34913 1/20 0.47
SCN4A P35499 1/20 0.47
AGPAT2 O15120 3/20 0.45
AKR1B1 P15121 4/20 0.43
AKR1A1 P14550 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 1/20 0.41
NCS1 P62166 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK1D P48730 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
IDO1 P14902 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL30607204 0.86 EPHX2 (0.65) DYRK1AEPHX2SCN4AKDM4EKMT2A
SCHEMBL334576 0.86 EPHX2 (0.65) DYRK1AEPHX2SCN4AKDM4EKMT2A
SCHEMBL15708155 0.80 DYRK1A (0.54) DYRK1AILKEPHX2SCN4AAGPAT2
SCHEMBL1913811 0.79 SCN4A (0.75) DYRK1AILKEPHX2SCN4ASMN1; SMN2
SCHEMBL1748145 0.79 DYRK1A (0.52) DYRK1AILKEPHX2SCN4AAGPAT2
SCHEMBL4090777 0.79 DYRK1A (0.52) DYRK1AILKEPHX2SCN4AAGPAT2
SCHEMBL9853857 0.79 POLB (0.56) DYRK1AILKEPHX2SCN4AAKR1B1
SCHEMBL31547354 0.79 DYRK1A (0.52) DYRK1AILKEPHX2SCN4AAGPAT2
SCHEMBL30261092 0.79 SCN4A (0.75) DYRK1AILKEPHX2SCN4ASMN1; SMN2
SCHEMBL359623 0.78 DYRK1A (0.49) DYRK1AILKEPHX2SCN4AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-10-27 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
EP-3483149-B1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME YUHAN CORP (KR) 2021-01-13 EP disclosed
EP-3145925-B1 ANTHELMINTIC COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-11-04 EP disclosed
WO-2020018848-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2020-01-23 WO disclosed
US-10463661-B2 Anthelmintic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-11-05 US disclosed
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same YUHAN CORPORATION (KR) 2019-08-20 US disclosed
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same YUHAN CORPORATION (KR) 2019-05-16 US disclosed
EP-3483149-A1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Yuhan Corporation (KR) 2019-05-15 EP disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
CN-1816531-A Process for the preparation of aryl alkyl acid derivatives and their use for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2006-08-09 CN disclosed
EP-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0123087-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC PHENYL ETHER CASSELLA Aktiengesellschaft (DE) 1987-07-01 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DYRK1A 3333/4885ILK 4839/4885EPHX2 739/4885
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same ILK, SBDS, BDKRB1 DYRK1A 2053/4885ILK 1/4885EPHX2 4355/4885
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same ILK, SBDS, BDKRB1 DYRK1A 2053/4885ILK 1/4885EPHX2 4355/4885
US-10463661-B2 Anthelmintic compounds HRH4, QTRT1, Q6ZSR9 DYRK1A 2252/4885ILK 4836/4885EPHX2 361/4885
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS AHR, MCL1, ARNT DYRK1A 3793/4885ILK 4782/4885EPHX2 173/4885
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS AHR, ARNT, RXRB DYRK1A 3545/4885ILK 4872/4885EPHX2 454/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB DYRK1A 3545/4885ILK 4872/4885EPHX2 454/4885

“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.