SCHEMBL5221174

SCHEMBL5221174

COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.93
PTPN1 P18031 1/20 0.93
ADAMTS5 Q9UNA0 1/20 0.89
MEN1 O00255 1/20 0.85
POLB P06746 1/20 0.85
KMT2A Q03164 1/20 0.85

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
SCHEMBL6720209 1.00 AKR1B1 (0.93) AKR1B1PTPN1ADAMTS5MEN1POLB
SCHEMBL5221183 1.00 AKR1B1 (0.93) AKR1B1PTPN1ADAMTS5MEN1POLB
SCHEMBL19736251 0.96 AKR1B1 (1.00) AKR1B1PTPN1ADAMTS5MEN1POLB
SCHEMBL29408611 0.96 AKR1B1 (1.00) AKR1B1PTPN1ADAMTS5MEN1POLB
SCHEMBL6720207 0.96 AKR1B1 (1.00) AKR1B1PTPN1ADAMTS5MEN1POLB
SCHEMBL186520 0.94 ADAMTS5 (1.00) AKR1B1PTPN1ADAMTS5
SCHEMBL245003 0.94 ADAMTS5 (1.00) AKR1B1PTPN1ADAMTS5
SCHEMBL25992293 0.93 MEN1 (0.85) AKR1B1PTPN1ADAMTS5MEN1POLB
SCHEMBL29408629 0.92 MEN1 (1.00) AKR1B1PTPN1ADAMTS5MEN1POLB
SCHEMBL19736166 0.92 MEN1 (1.00) AKR1B1PTPN1ADAMTS5MEN1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468555-B1 COMPOSITIONS FOR USE IN TREATING BACTERIAL INFECTIONS VERSITECH LTD (HK) 2023-08-09 EP disclosed
US-20190307729-A1 ANTIMICROBIAL COMPOUNDS AND METHODS FOR USE THEREOF VERSITECH LIMITED (HK) 2019-10-10 US disclosed
WO-2017215552-A1 ANTIMICROBIAL COMPOUNDS AND METHODS FOR USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2017-12-21 WO disclosed
EP-1313471-B1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS UCB SA (BE) 2007-04-11 EP disclosed
US-7105554-B2 Benzylidene thiazolidinediones and their use as antimycotic agents OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2006-09-12 US disclosed
US-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-01-08 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 (2 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-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents SLC5A2, OXSR1, SLC5A1 AKR1B1 594/4885PTPN1 1590/4885ADAMTS5 4556/4885
US-20190307729-A1 ANTIMICROBIAL COMPOUNDS AND METHODS FOR USE THEREOF NRDC, NISCH, NEK5 AKR1B1 3100/4885PTPN1 4259/4885ADAMTS5 1875/4885

“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.