SCHEMBL1713601

SCHEMBL1713601

FC(F)c1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
NOTUM Q6P988 1/20 0.32
GSK3B P49841 1/20 0.32
TPMT P51580 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ACACB O00763 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
KIF11 P52732 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31

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
SCHEMBL662302 0.83 PGK1 (0.38) NOTUMTRPV4KIF11PGK1PGK2
Bromide SCHEMBL9813321 0.79 NOTUM (0.37) NOTUMTRPV4KIF11PGK1PGK2
SCHEMBL16426385 0.77 CA1 (0.38) CA1CA2GSK3BHDAC8ACACB
SCHEMBL1991662 0.73 CYP19A1 (0.36) CA1CA2GSK3BTPMTHDAC8
SCHEMBL4048358 0.71 IDO1 (0.48) CA1CA2HDAC8
SCHEMBL743684 0.71 CA1 (0.32) CA1CA2GSK3BTPMTACACB
SCHEMBL746303 0.71 CA1 (0.32) CA1CA2GSK3BTPMTACACB
SCHEMBL67142 0.71
SCHEMBL10597056 0.71 HDAC8 (0.50) CA1CA2GSK3BTPMTHDAC8
SCHEMBL11252 0.69 GSK3B (0.34) GSK3BTPMTACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008782-A1 HYDANTOIN MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION CONVELO THERAPEUTICS, INC. 2026-01-08 US disclosed
CN-119998288-A Hydantoin modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2025-05-13 CN disclosed
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2025-04-10 US disclosed
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118510783-A Spiro modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-08-16 CN disclosed
WO-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
CN-117185897-A Synthesis method of difluoromethyl halobenzene 上海泰坦科技股份有限公司 2023-12-08 CN disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
US-20100249392-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-7776830-B2 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-17 US disclosed
US-7745414-B2 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-29 US disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
CN-101437807-A Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation BOEHRINGER INGELHEIM INT (DE) 2009-05-20 CN disclosed
CN-101384576-A Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INT (DE) 2009-03-11 CN disclosed
EP-2024352-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
US-20080058379-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-06 US disclosed
WO-2007128749-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 WO disclosed
US-20070259821-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 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 (6 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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 CA1 3672/4885CA2 4313/4885NOTUM 2836/4885
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS CKS1B, CSNK1A1, CKS2 CA1 1631/4885CA2 1356/4885NOTUM 2829/4885
US-20080058379-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture UGGT1, GALE, UGT1A4 CA1 4506/4885CA2 3488/4885NOTUM 1124/4885
US-20260008782-A1 HYDANTOIN MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION SGMS1, MAG, SGMS2 CA1 1632/4885CA2 2426/4885NOTUM 2081/4885
US-20070259821-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture UGGT1, UGT1A4, SLC5A1 CA1 4184/4885CA2 3266/4885NOTUM 1125/4885
US-20100249392-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture UGGT1, UGT1A4, SLC5A1 CA1 4184/4885CA2 3266/4885NOTUM 1125/4885

“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.