SCHEMBL19736088

SCHEMBL19736088

CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 11/20 0.80
▸ PTPN1 P18031 6/20 0.76
▸ MMP3 P08254 2/20 0.72
▸ MMP13 P45452 2/20 0.72
▸ MAPT P10636 2/20 0.67
▸ MITF O75030 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ NCOA3 Q9Y6Q9 1/20 0.67
▸ PTPN12 Q05209 1/20 0.66
▸ PTPN22 Q9Y2R2 1/20 0.66
▸ DNM1 Q05193 1/20 0.62
▸ MEN1 O00255 1/20 0.61
▸ PSMD14 O00487 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MAPK1 P28482 1/20 0.61

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
SCHEMBL29984921 1.00 AKR1B1 (0.80) AKR1B1PTPN1MMP3MMP13MAPT
SCHEMBL17319533 0.96 AKR1B1 (0.84) AKR1B1PTPN1MMP3MMP13MAPT
SCHEMBL17319550 0.96 AKR1B1 (0.84) AKR1B1PTPN1MMP3MMP13MAPT
SCHEMBL19736237 0.91 MITF (0.80) AKR1B1PTPN1MMP3MMP13MAPT
SCHEMBL29408603 0.91 MITF (0.80) AKR1B1PTPN1MMP3MMP13MAPT
SCHEMBL12008537 0.89 MAPT (0.84) AKR1B1PTPN1MAPTMITFRAB9A
SCHEMBL12008492 0.87 AKR1B1 (0.74) AKR1B1PTPN1MAPTMITFRAB9A
SCHEMBL10492239 0.86 MAPT (0.79) AKR1B1PTPN1MMP3MMP13MAPT
SCHEMBL20534340 0.86 MAPT (0.79) AKR1B1PTPN1MMP3MMP13MAPT
SCHEMBL10492233 0.86 MAPT (0.79) AKR1B1PTPN1MMP3MMP13MAPT

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 AKR1B1 3100/4885PTPN1 4259/4885MMP3 1325/4885

“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.

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