SCHEMBL19736237

SCHEMBL19736237

CCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 1/20 0.80
▸ MAPT P10636 1/20 0.80
▸ RAB9A P51151 1/20 0.80
▸ NCOA3 Q9Y6Q9 1/20 0.80
▸ AKR1B1 P15121 8/20 0.76
▸ PTPN1 P18031 5/20 0.74
▸ MMP3 P08254 2/20 0.74
▸ MMP13 P45452 2/20 0.74
▸ MAPK1 P28482 1/20 0.70
▸ PTPN12 Q05209 1/20 0.69
▸ PTPN22 Q9Y2R2 1/20 0.69
▸ POLB P06746 1/20 0.67
▸ MEN1 O00255 1/20 0.63
▸ PSMD14 O00487 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ PKM P14618 1/20 0.63

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
SCHEMBL29408603 1.00 MITF (0.80) MITFMAPTRAB9ANCOA3AKR1B1
SCHEMBL17319533 0.91 AKR1B1 (0.84) MITFMAPTRAB9ANCOA3AKR1B1
SCHEMBL29984921 0.91 AKR1B1 (0.80) MITFMAPTRAB9ANCOA3AKR1B1
SCHEMBL19736088 0.91 AKR1B1 (0.80) MITFMAPTRAB9ANCOA3AKR1B1
SCHEMBL17319550 0.91 AKR1B1 (0.84) MITFMAPTRAB9ANCOA3AKR1B1
SCHEMBL12008749 0.89 MAPT (1.00) MITFMAPTRAB9ANCOA3AKR1B1
SCHEMBL15817052 0.88 CA9 (0.78) AKR1B1PTPN1MAPK1
SCHEMBL15817054 0.88 CA9 (0.78) AKR1B1PTPN1MAPK1
SCHEMBL15817056 0.88 CA9 (0.78) AKR1B1PTPN1MAPK1
SCHEMBL10492239 0.88 MAPT (0.79) MAPTNCOA3AKR1B1PTPN1MMP3

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190307729-A1 ANTIMICROBIAL COMPOUNDS AND METHODS FOR USE THEREOF NRDC, NISCH, NEK5 MITF 1153/4885MAPT 2108/4885RAB9A 1456/4885

“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.

Send feedback