SCHEMBL16896090

SCHEMBL16896090

CCCCCCCCCCCCn1c2ccccc2c2nc(SCC(=O)O)n(-c3ccccc3)c(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PSEN1 P49768 4/20 0.43
▸ PSEN2 P49810 4/20 0.43
▸ APH1B Q8WW43 4/20 0.43
▸ NCSTN Q92542 4/20 0.43
▸ APH1A Q96BI3 4/20 0.43
▸ PSENEN Q9NZ42 4/20 0.43

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
SCHEMBL16896039 0.99 TLR4 (0.54) TLR4L3MBTL1ATMALDH1A1MAPT
SCHEMBL16896166 0.92 TLR4 (0.56) TLR4L3MBTL1ATMALDH1A1HPGD
SCHEMBL16906388 0.86 TLR4 (0.54) TLR4ATMALDH1A1KDM4EHPGD
SCHEMBL16896133 0.85 TLR4 (0.77) TLR4ALDH1A1KDM4EUSP2
SCHEMBL16896110 0.84 TLR4 (0.78) TLR4ALDH1A1KDM4EUSP2
SCHEMBL16896206 0.82 TLR4 (0.53) TLR4ATMALDH1A1MAPTHPGD
SCHEMBL16903569 0.81 TLR4 (0.79) TLR4ALDH1A1KDM4EUSP2
SCHEMBL16896196 0.77 TLR4 (0.81) TLR4ALDH1A1KDM4EUSP2
SCHEMBL16906383 0.76 TLR4 (0.50) TLR4MAPTNPSR1POLB
SCHEMBL16896224 0.74 TLR4 (0.75) TLR4ALDH1A1KDM4EUSP2

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-9505768-B2 Compositions and methods for modulating TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 — — US disclosed
US-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-07-16 — — 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-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 TLR4, TLR3, TLR6 TLR4 1/4885L3MBTL1 2275/4885ATM 1508/4885

“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