SCHEMBL5281571

SCHEMBL5281571

O=S(=O)([CH]Nc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.50
▸ KEAP1 Q14145 2/20 0.48
▸ IL1RN P18510 1/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ PKM P14618 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MCOLN3 Q8TDD5 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR6 P50406 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40

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
SCHEMBL4587825 0.76 TLR9 (0.52) TLR9KEAP1IL1RNERAP1ALDH1A1
SCHEMBL5286296 0.76 KEAP1 (0.52) KEAP1IL1RNERAP1ALDH1A1PKM
SCHEMBL5286843 0.71 PSIP1 (0.48) TLR9KEAP1ALDH1A1PKMCYP1A2
SCHEMBL5284134 0.71 TLR9 (0.47) TLR9KEAP1IL1RNERAP1ALDH1A1
SCHEMBL1344338 0.71 TLR9 (0.80) TLR9KEAP1IL1RNERAP1ALDH1A1
SCHEMBL2787588 0.71 TLR9 (0.80) TLR9KEAP1IL1RNERAP1ALDH1A1
SCHEMBL7541319 0.71 TLR9 (0.64) TLR9KEAP1IL1RNERAP1ALDH1A1
SCHEMBL1344341 0.71 TLR9 (0.80) TLR9KEAP1IL1RNERAP1ALDH1A1
SCHEMBL11331899 0.71 — —
SCHEMBL5966694 0.69 ADH1B (0.53) TLR9KEAP1ALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 — — WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 — — US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 — — WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 — — 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 TLR9 1893/4885KEAP1 4633/4885IL1RN 3511/4885

“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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