SCHEMBL798016

SCHEMBL798016

CC(C)(C)c1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
ATP2A2 P16615 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16105676 0.85 CA3 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL13403327 0.82 PTGS1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL441530 0.80 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL13990327 0.78 ALDH1A1 (0.33) PTGS1PTGS2ALDH1A1ALOX15KDM4E
SCHEMBL10170297 0.78 NR3C1 (0.40) PTGS1PTGS2ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL1690352 0.78 ALDH1A1 (0.44) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL6763833 0.78 MAPK1 (0.39) ALDH1A1MEN1KMT2AALOX15KDM4E
SCHEMBL10183565 0.78 ALDH1A1 (0.43) CA9ALDH1A1MEN1KMT2AALOX15
SCHEMBL20876273 0.78 CA3 (0.37) CA3CA6CA5ACA9CA14
SCHEMBL28335458 0.78 CA3 (0.41) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024106914-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF VORONOI INC. (KR) 2024-05-23 WO disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-11787799-B2 Potent antiviral pyrazolopyridine compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-17 US disclosed
US-11787799-B2 Potent antiviral pyrazolopyridine compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-17 US disclosed
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-12 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 US disclosed
US-7214668-B2 Phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. (US) 2007-05-08 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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 (10 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CA3 4693/4885CA6 3764/4885CA5A 3334/4885
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD CA3 2817/4885CA6 2112/4885CA5A 374/4885
US-11787799-B2 Potent antiviral pyrazolopyridine compounds MAVS, VRK1, VRK2 CA3 2135/4885CA6 3396/4885CA5A 630/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CA3 4693/4885CA6 3764/4885CA5A 3334/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 CA3 2532/4885CA6 2614/4885CA5A 2103/4885
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 CA3 4618/4885CA6 4781/4885CA5A 4360/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CA3 3321/4885CA6 4862/4885CA5A 2273/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CA3 325/4885CA6 2263/4885CA5A 1636/4885
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor NOTUM, OR51E2, ORMDL3 CA3 4757/4885CA6 2526/4885CA5A 4287/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG CA3 3886/4885CA6 4795/4885CA5A 3274/4885

“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.