SCHEMBL5019963

SCHEMBL5019963

Oc1ccc(F)c(F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
POLB P06746 1/20 0.38
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
ALOX15 P16050 2/20 0.33
MEP1B Q16820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MPI P34949 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
PTPN1 P18031 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL29920982 1.00 CA3 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL31248653 0.79 CA3 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL28975669 0.79 ALOX15 (0.39) POLBALOX15ESR1ESR2ALOX12
SCHEMBL313506 0.77 CES2 (0.36) CES2CES1
SCHEMBL29487566 0.77 CES2 (0.36) CES2CES1
SCHEMBL25006118 0.75 CA9 (0.36) CA3CA6CA5ACA9CA14
SCHEMBL7524173 0.75 KDM4E (0.39) CA3CA6CA5ACA9CA14
SCHEMBL17744305 0.75 CYP3A4 (0.42) POLBALOX15MEP1BKDM4EESR2
SCHEMBL16334112 0.75 TP53 (0.36) POLBALOX15KDM4EESR1ESR2
SCHEMBL31331585 0.75 TP53 (0.36) POLBALOX15KDM4EESR1ESR2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
EP-4121421-B1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2026-03-11 EP disclosed
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2024-11-21 US disclosed
US-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors NOVARTIS AG (CH) 2024-09-10 US disclosed
EP-4121421-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS Novartis AG (CH) 2023-01-25 EP disclosed
CN-115298170-A Biaryl derivatives as inhibitors of YAP/TAZ-TEAD protein-protein interactions 诺华股份有限公司 2022-11-04 CN disclosed
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 EP disclosed
US-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2021-09-30 US disclosed
WO-2021186324-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2021-09-23 WO disclosed
CN-108430471-B Factor XIa inhibitors 默沙东公司 2021-07-09 CN disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
CN-108430471-A Factor xia inhibitors 默沙东公司 2018-08-21 CN disclosed
CN-105431427-B Novel PDE 4 inhibitor 明治制果药业株式会社 2017-12-08 CN disclosed
WO-2017074832-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 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 (5 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-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors YAP1, TEAD3, TEAD2 CA3 4783/4885CA6 4386/4885CA5A 2924/4885
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 CA3 4783/4885CA6 4386/4885CA5A 2924/4885
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 CA3 938/4885CA6 3155/4885CA5A 3076/4885
US-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI CA3 3589/4885CA6 2486/4885CA5A 2597/4885
US-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 CA3 4792/4885CA6 4377/4885CA5A 2953/4885

“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.