SCHEMBL644516

SCHEMBL644516

COC(=O)c1cc(Br)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA9 Q16790 6/20 0.53
CA12 O43570 5/20 0.53
CA7 P43166 5/20 0.53
CA14 Q9ULX7 5/20 0.53
PDK2 Q15119 1/20 0.53
PDK4 Q16654 1/20 0.53
GAA P10253 2/20 0.50
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
SOS1 Q07889 1/20 0.44
KDM4E B2RXH2 3/20 0.44
XDH P47989 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL30463075 1.00 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL20802853 0.92 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL25341252 0.90 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL30448096 0.90 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL1538335 0.85 CA12 (0.63) CA1CA2CA9CA12CA7
SCHEMBL168324 0.85 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL21438937 0.85 CCR6 (0.47) CA1CA2CA9CA12CA7
SCHEMBL2316462 0.83 SOS1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL17239465 0.83 ABL1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL747498 0.83 CA1 (0.49) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751200-A Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-09-15 CN disclosed
CN-110114071-B Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-07-04 CN disclosed
EP-3534903-B1 SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2022-08-03 EP disclosed
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-25 US disclosed
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-25 US disclosed
US-10821103-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2020-11-03 US disclosed
US-10821103-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2020-11-03 US disclosed
US-20200261432-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-08-20 US disclosed
US-20200261432-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-08-20 US disclosed
US-20190314347-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. 2019-10-17 US disclosed
WO-2008086857-A1 TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR MERCK PATENT GMBH (DE) 2008-07-24 WO disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US disclosed
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
EP-0805681-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP disclosed
EP-0805681-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-11-12 EP disclosed
WO-1996022775-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-01 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 (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-20200261432-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME HAVCR2, HCCS, TYMP CA1 3458/4885CA2 3150/4885CA9 2266/4885
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles HSP90AB1, HSP90AA1, HSP90AB2P CA1 4819/4885CA2 4321/4885CA9 4562/4885
US-20190314347-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME HAVCR2, HCCS, TYMP CA1 3458/4885CA2 3150/4885CA9 2266/4885
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same HAVCR2, HCCS, TYMP CA1 3458/4885CA2 3150/4885CA9 2266/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CA1 4328/4885CA2 4006/4885CA9 2269/4885
US-10821103-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same HAVCR2, HCCS, TYMP CA1 3458/4885CA2 3150/4885CA9 2266/4885

“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.