Sugi Predict

Sugi Predict / Compounds / SCHEMBL661834

SCHEMBL661834

SCHEMBL661834

CCC(=O)c1ccc(I)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ TPMT P51580 1/20 0.52
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ GSK3B P49841 1/20 0.45
▸ PDPK1 O15530 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HSD17B3 P37058 2/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ PGR P06401 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL8051337 0.87 SMN1; SMN2 (0.70) SMN1; SMN2MAPTL3MBTL1GSK3BATM
SCHEMBL20620593 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MAPTL3MBTL1GSK3BATM
Ethyne SCHEMBL8050785 0.82 SMN1; SMN2 (0.64) SMN1; SMN2MAPTL3MBTL1GSK3BATM
SCHEMBL319591 0.82 HSD17B3 (0.67) SMN1; SMN2L3MBTL1TPMTCA1CA2
SCHEMBL10389933 0.80 SMN1; SMN2 (0.83) SMN1; SMN2MAPTL3MBTL1GSK3BATM
SCHEMBL4936177 0.79 HSD17B3 (0.69) SMN1; SMN2L3MBTL1HSD17B3RAB9ANPC1
SCHEMBL2644065 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAPTL3MBTL1GSK3BATM
SCHEMBL1146446 0.78 SMN1; SMN2 (0.65) SMN1; SMN2MAPTL3MBTL1TPMTCA1
SCHEMBL8282094 0.78 MAPT (0.59) SMN1; SMN2MAPTL3MBTL1ATMHSD17B3
SCHEMBL11695106 0.78 GSK3B (0.64) TPMTCA1CA2GSK3BPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134318-A A kind of preparation method of 4- mesyl acetophenone and the bromo- 4- mesyl acetophenone of α- 江苏美迪克化学品有限公司 2019-01-04 — — CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 — — CN claimed
US-20240425513-A1 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 CARMOT THERAPEUTICS, INC. 2024-12-26 — — US disclosed
EP-4419508-A2 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 Carmot Therapeutics, Inc. (US) 2024-08-28 — — EP disclosed
CN-118302414-A Oxazole, oxadiazole and indole derivatives useful for inhibiting USP28 卡莫特医疗有限公司 2024-07-05 — — CN disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 — — US disclosed
WO-2023069721-A2 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 CARMOT THERAPEUTICS, INC. (US) 2023-04-27 — — WO disclosed
WO-2023069721-A2 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 CARMOT THERAPEUTICS, INC. (US) 2023-04-27 — — WO disclosed
WO-2023011573-A1 AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 — — WO disclosed
US-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same YALE UNIVERSITY (US) 2022-12-06 — — US disclosed
WO-2022219012-A1 3H,4H,5H,6H,7H-PYRIMIDO[4,5-B][1,4]OXAZINE-4,6-DIONE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-10-20 — — WO disclosed
CN-1930197-A Polymer-supported metal cluster compositions JAPAN SCIENCE & TECH AGENCY (JP) 2007-03-14 — — CN disclosed
CN-1240677-C Monofluoroalkyl derivatives LILLY CO ELI (US) 2006-02-08 — — CN disclosed
CN-1396903-A novel compounds, their preparation and use NOVO NORDISK AS (DK) 2003-02-12 — — CN disclosed
CN-1349497-A Monofluoroalkyl derivatives LILLY CO ELI (US) 2002-05-15 — — CN disclosed
CN-1261795-A Compounds and methods SMITHKLINE BEECHAM CORP (US) 2000-08-02 — — CN disclosed
CN-1252070-A 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors ABBOTT LAB (US) 2000-05-03 — — CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 — — EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 — — WO disclosed
US-3992472-A Synthesis of ethylenically unsaturated compounds from aldehydes or ketones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-16 — — 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 (3 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-20240425513-A1 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 USP28, USP25, USP39 SMN1; SMN2 2882/4885MAPT 1725/4885L3MBTL1 2039/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 SMN1; SMN2 984/4885MAPT 598/4885L3MBTL1 228/4885
US-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same SLC18A2, SLC18A3, SLC1A2 SMN1; SMN2 1717/4885MAPT 200/4885L3MBTL1 4676/4885

“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.