SCHEMBL16896206

SCHEMBL16896206

N#CCn1c2ccccc2c2nc(SCC(=O)O)n(-c3ccccc3)c(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ POLB P06746 5/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 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
SCHEMBL16896202 0.85 TLR4 (0.76) TLR4ALDH1A1LMNATP53MEN1
SCHEMBL16906388 0.85 TLR4 (0.54) TLR4SMN1; SMN2HPGDALDH1A1TGM2
SCHEMBL16896166 0.85 TLR4 (0.56) TLR4SMN1; SMN2HPGDALDH1A1TGM2
SCHEMBL16896039 0.82 TLR4 (0.54) TLR4SMN1; SMN2HPGDALDH1A1TGM2
SCHEMBL16896090 0.82 TLR4 (0.53) TLR4SMN1; SMN2HPGDALDH1A1ATM
SCHEMBL14010913 0.73 TGM2 (0.75) SMN1; SMN2ALDH1A1TGM2LMNAMEN1
SCHEMBL16906383 0.73 TLR4 (0.50) TLR4TGM2POLBTP53MEN1
SCHEMBL16896188 0.72 POLB (0.76) ALDH1A1POLBLMNATP53KMT2A
SCHEMBL16906386 0.72 TLR4 (0.79) TLR4SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL16896088 0.72 TLR4 (0.76) TLR4SMN1; SMN2ALDH1A1LMNATP53

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 1/4885SMN1; SMN2 4028/4885HPGD 3842/4885

“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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