SCHEMBL16903570

SCHEMBL16903570

CC(C)(C)OC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.66
▸ TP53 P04637 5/20 0.66
▸ POLB P06746 4/20 0.66
▸ ALDH1A1 P00352 4/20 0.65
▸ LMNA P02545 6/20 0.64
▸ KMT2A Q03164 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ THRB P10828 1/20 0.61

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
SCHEMBL16896188 0.86 POLB (0.76) MAPTTP53POLBALDH1A1LMNA
SCHEMBL16896033 0.85 LMNA (0.70) MAPTTP53POLBALDH1A1LMNA
SCHEMBL20096187 0.84 ALDH1A1 (0.85) MAPTTP53POLBALDH1A1LMNA
SCHEMBL16896230 0.82 TP53 (0.73) MAPTTP53POLBALDH1A1LMNA
SCHEMBL16896210 0.81 TP53 (0.68) MAPTTP53POLBALDH1A1LMNA
SCHEMBL16903565 0.80 MAPT (0.80) MAPTTP53LMNATHRB
SCHEMBL16896197 0.79 LMNA (0.68) MAPTTP53POLBALDH1A1LMNA
SCHEMBL20089845 0.79 LMNA (0.68) MAPTTP53POLBALDH1A1LMNA
SCHEMBL16896201 0.79 TP53 (0.69) MAPTTP53POLBALDH1A1LMNA
SCHEMBL16896220 0.79 TP53 (0.68) MAPTTP53POLBALDH1A1LMNA

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
US-9505768-B2 Compositions and methods for modulating TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 — — US disclosed
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
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 MAPT 3892/4885TP53 1455/4885POLB 4380/4885

“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