Sugi Predict

Sugi Predict / Compounds / SCHEMBL3343549

SCHEMBL3343549

SCHEMBL3343549

COC(=O)c1cc(C(=O)OC)cc(S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CA14 Q9ULX7 3/20 0.52
▸ CA7 P43166 2/20 0.52
▸ KDM4E B2RXH2 5/20 0.50
▸ POLB P06746 2/20 0.50
▸ XDH P47989 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ FUT7 Q11130 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PTGS2 P35354 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47

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
SCHEMBL3509317 0.93 LCK (0.50) CA12CA1CA2CA9CA14
SCHEMBL3898102 0.93 KDM4E (0.46) CA12CA1CA2CA9CA14
SCHEMBL20791126 0.89 CNR2 (0.47) CA12CA1CA2CA9CA14
SCHEMBL30263077 0.89 CA12 (0.66) CA12CA1CA2CA9CA14
SCHEMBL29283401 0.89 CA12 (0.66) CA12CA1CA2CA9CA14
SCHEMBL2553579 0.87 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL5619177 0.87 CA1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL2872120 0.87 ALDH1A1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL31556450 0.87 NOTUM (0.57) CA12CA1CA2CA9CA14
SCHEMBL1495552 0.87 NOTUM (0.57) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551839-B Heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-04 — — CN disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 — — US disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 — — US disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 — — US disclosed
CN-115551839-A Heteroaryl-triazole compounds as pesticides 拜耳公司 2022-12-30 — — CN disclosed
EP-4107151-A1 HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-12-28 — — EP disclosed
US-9310677-B2 Polymerizable composition comprising an oxime sulfonate as thermal curing agent BASF (DE) 2016-04-12 — — US disclosed
US-20130308219-A1 POLYMERIZABLE COMPOSITION COMPRISING AN OXIME SULFONATE AS THERMAL CURING AGENT BASF SE (DE) 2013-11-21 — — US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 — — US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 — — US disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 — — WO disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 — — US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-20090047518-A1 POWDERY SILICA COMPOSITE PARTICLES, PROCESS OF PRODUCING SAME, SILICA COMPOSITE PARTICLE DISPERSION, AND RESIN COMPOSITION NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2009-02-19 — — US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 — — US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP CA12 330/4885CA1 63/4885CA2 497/4885
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 CA12 4857/4885CA1 4409/4885CA2 3584/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 CA12 2516/4885CA1 324/4885CA2 1070/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP CA12 4275/4885CA1 815/4885CA2 3624/4885

“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.