SCHEMBL16896166

SCHEMBL16896166

CCCn1c2ccccc2c2nc(SCC(=O)O)n(-c3ccccc3)c(=O)c21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.56
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.51
PGR P06401 1/20 0.49
POLB P06746 1/20 0.47
USP2 O75604 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
PDE7A Q13946 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TGM2 P21980 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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 0.93 TLR4 (0.54) TLR4ALDH1A1ATMPOLBUSP2
SCHEMBL16896090 0.92 TLR4 (0.53) TLR4ALDH1A1ATMPOLBUSP2
SCHEMBL16906388 0.90 TLR4 (0.54) TLR4ALDH1A1ATMPOLBUSP2
SCHEMBL16896206 0.85 TLR4 (0.53) TLR4ALDH1A1ATMPOLBHPGD
SCHEMBL16896196 0.84 TLR4 (0.81) TLR4ALDH1A1USP2LMNAMEN1
SCHEMBL16906383 0.80 TLR4 (0.50) TLR4POLBPDE7AGAATGM2
SCHEMBL16903569 0.79 TLR4 (0.79) TLR4ALDH1A1USP2LMNAMEN1
SCHEMBL16896110 0.79 TLR4 (0.78) TLR4ALDH1A1USP2LMNAMEN1
SCHEMBL16896133 0.78 TLR4 (0.77) TLR4ALDH1A1USP2LMNAMEN1
SCHEMBL16906386 0.75 TLR4 (0.79) TLR4ALDH1A1USP2SMN1; SMN2LMNA

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 1/4885ALDH1A1 4647/4885ATM 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.