SCHEMBL19736094

SCHEMBL19736094

O=C(O)CN1C(=O)/C(=C/c2cccc(OC(=O)c3ccccc3)c2)SC1=S

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 9/20 0.77
▸ PTPN1 P18031 5/20 0.77
▸ MMP3 P08254 3/20 0.77
▸ MMP13 P45452 3/20 0.77
▸ MEN1 O00255 4/20 0.76
▸ KMT2A Q03164 4/20 0.76
▸ GFER P55789 1/20 0.72
▸ PTPN2 P17706 1/20 0.67
▸ ADAMTS5 Q9UNA0 1/20 0.67
▸ POLB P06746 2/20 0.65
▸ PKM P14618 1/20 0.62

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
SCHEMBL29408605 1.00 AKR1B1 (0.77) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL19736229 0.89 PKM (0.78) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL29408612 0.89 PKM (0.78) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL6887509 0.85 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL6887504 0.85 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL6887214 0.84 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL19736049 0.84 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL6887210 0.84 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL19736095 0.83 MEN1 (0.67) AKR1B1PTPN1MMP3MMP13MEN1
SCHEMBL29408614 0.82 MEN1 (0.66) AKR1B1PTPN1MMP3MMP13MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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