Sugi Predict

Sugi Predict / Compounds / SCHEMBL4429261

SCHEMBL4429261

SCHEMBL4429261

COc1ccccc1-c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ APP P05067 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.48
▸ HTR7 P34969 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ TP53 P04637 3/20 0.43

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
SCHEMBL29559535 1.00 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL301996 0.85 CA1 (0.71) CA1CA2CA7CA9CA12
SCHEMBL29429633 0.85 CA1 (0.71) CA1CA2CA7CA9CA12
SCHEMBL29788337 0.85 CA1 (0.71) CA1CA2CA7CA9CA12
SCHEMBL11099503 0.83 CA1 (0.67) CA1CA2CA7CA9CA12
SCHEMBL3643541 0.83 CA1 (0.67) CA1CA2CA7CA9CA12
SCHEMBL29740506 0.83 CA1 (0.67) CA1CA2CA7CA9CA12
SCHEMBL30599266 0.83 CA1 (0.67) CA1CA2CA7CA9CA12
SCHEMBL366191 0.83 TOP1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL28200391 0.82 APP (0.49) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3577101-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-03 — — EP disclosed
WO-2018141706-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-08-09 — — WO disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 — — EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 — — EP disclosed
CN-104230900-A Antiviral compounds GILEAD SCIENCES INC 2014-12-24 — — CN disclosed
CN-104211713-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 — — CN disclosed
CN-104211689-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 — — CN disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 — — EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 — — EP disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 — — US disclosed
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 — — US disclosed
WO-2004052939-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-06-24 — — WO disclosed
US-6686495-B2 IN PRESENCE OF PALLADIUM CATALYST; USEFUL IN PRODUCING CHEMICAL INTERMEDIATES FOR PHARMACEUTICALS, OPTICAL BRIGHTENING AGENTS AND AGROCHEMICALS OMG AG & CO KG (DE) 2004-02-03 — — US disclosed
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-01-15 — — US disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 — — EP disclosed
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2002-10-24 — — US disclosed
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls UMICORE AG & CO. KG (DE) 2002-08-08 — — US disclosed
US-6395916-B1 AMINE, PHOSPHINE LIGANDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-05-28 — — US disclosed
EP-1199292-A1 Process for the production of mono-, bi- or polyfunctional biaryls OMG AG & Co. KG (DE) 2002-04-24 — — EP disclosed
US-6307087-B1 USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-10-23 — — 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 (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-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 CA1 314/4885CA2 131/4885CA7 176/4885
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 CA1 210/4885CA2 88/4885CA7 116/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 CA1 314/4885CA2 131/4885CA7 176/4885
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls CYP4F3, CYP4F2, CYP2F1 CA1 1948/4885CA2 2414/4885CA7 1284/4885

“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.