Sugi Predict

Sugi Predict / Compounds / SCHEMBL853580

SCHEMBL853580

SCHEMBL853580

COC(=O)CC(=O)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 2/20 0.61
▸ FEN1 P39748 2/20 0.61
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 1/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 3/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 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
SCHEMBL30335736 1.00 ERCC5 (0.61) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL20945673 0.86 ERCC5 (0.53) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL30955358 0.86 ERCC5 (0.53) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL8658751 0.86 ERCC5 (0.63) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL27023278 0.84 ERCC5 (0.51) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL952091 0.84 ERCC5 (0.56) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL31388564 0.84 ERCC5 (0.56) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL29987169 0.84 ERCC5 (0.74) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL3566922 0.83 ERCC5 (0.54) ERCC5FEN1KMT2AMEN1RAB9A
SCHEMBL31439626 0.83 ERCC5 (0.54) ERCC5FEN1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784987-A Compound related to pneumonia, preparation method and application thereof, and pharmaceutical composition 国科温州研究院(温州生物材料与工程研究所) 2023-03-14 — — CN claimed
CN-116236478-A Application of aromatic heterocyclic formamide compound 浙江大学 2023-06-09 — — CN disclosed
CN-110642837-B Pyridine amide compound containing triazole or quinolinone structure and application thereof 江西科技师范大学 2023-03-21 — — CN disclosed
CN-115784987-A Compound related to pneumonia, preparation method and application thereof, and pharmaceutical composition 国科温州研究院(温州生物材料与工程研究所) 2023-03-14 — — CN disclosed
CN-110642837-A Pyridine amide compound containing triazole or quinolinone structure and application thereof 江西科技师范大学 2020-01-03 — — CN disclosed
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 — — EP disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 — — EP disclosed
CN-106316975-A Amide compound and application thereof as TGR5 agonist 山东轩竹医药科技有限公司 2017-01-11 — — CN disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — US disclosed
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders SUGEN, INC. 2004-05-27 — — US disclosed
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 — — WO disclosed
US-6649635-B2 For therapy of cancer SUGEN, INC. 2003-11-18 — — US disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 — — US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 — — WO disclosed
US-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders MCMAHON GERALD (US) 2002-05-30 — — US disclosed
EP-1012150-A4 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN INC (US) 2002-05-29 — — EP disclosed
US-6316479-B1 ANTICANCER AGENTS SUGEN, INC. 2001-11-13 — — US disclosed
EP-1012150-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS Sugen, Inc. (US) 2000-06-28 — — EP disclosed
WO-1998052944-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN, INC. (US) 1998-11-26 — — 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 (4 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 ERCC5 3055/4885FEN1 2866/4885KMT2A 4665/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 ERCC5 3552/4885FEN1 4499/4885KMT2A 3180/4885
US-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC ERCC5 2694/4885FEN1 2669/4885KMT2A 607/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC ERCC5 2694/4885FEN1 2669/4885KMT2A 607/4885

“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.