SCHEMBL21450932

SCHEMBL21450932

O=C(Oc1ccc(/C=C2\SC(=S)N(CC(O)O)C2=O)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.63
▸ AKR1B1 P15121 5/20 0.61
▸ PTPN1 P18031 5/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MMP3 P08254 2/20 0.61
▸ MMP13 P45452 2/20 0.61
▸ PSMD14 O00487 1/20 0.61
▸ HPGD P15428 1/20 0.55
▸ PTPN12 Q05209 1/20 0.54
▸ PTPN22 Q9Y2R2 1/20 0.54

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
SCHEMBL29408612 0.89 PKM (0.78) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL19736229 0.89 PKM (0.78) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL21450817 0.87 PKM (0.80) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL19736164 0.80 MEN1 (0.68) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL29408613 0.80 MEN1 (0.68) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL19736167 0.80 MEN1 (0.68) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL29408637 0.80 MEN1 (0.68) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL25992865 0.80 MEN1 (0.68) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL29408614 0.79 MEN1 (0.66) PKMAKR1B1PTPN1MEN1KMT2A
SCHEMBL19736244 0.79 MEN1 (0.66) PKMAKR1B1PTPN1MEN1KMT2A

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 1 patent. 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

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 PKM 1326/4885AKR1B1 3100/4885PTPN1 4259/4885

“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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