SCHEMBL1901277

SCHEMBL1901277

CCC1C(C(=O)O)=Cc2ccc(C(=O)N3CCCC3)cc2N=C1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.44
TLR7 Q9NYK1 7/20 0.44
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.36
CTSD P07339 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1093907 0.93 TLR8 (0.47) TLR8TLR7HPGDL3MBTL1MEN1
SCHEMBL1094849 0.81 NFKB1 (0.32)
SCHEMBL3021829 0.75 TLR8 (0.56) TLR8TLR7HPGDMEN1KMT2A
SCHEMBL1901276 0.73 TLR8 (0.53) TLR8TLR7CNR2
SCHEMBL18297270 0.69 TLR8 (0.47) TLR8TLR7HPGDL3MBTL1MEN1
SCHEMBL28265084 0.67 TLR8 (0.52) TLR8TLR7MEN1KMT2A
SCHEMBL1093906 0.67 TLR8 (0.56) TLR8TLR7HPGDL3MBTL1MEN1
SCHEMBL22790540 0.66 TLR8 (0.72) TLR8TLR7
SCHEMBL1656313 0.65 TLR8 (0.69) TLR8TLR7
SCHEMBL28145441 0.64 TLR8 (0.43) TLR8TLR7HPGDL3MBTL1MEN1

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
EP-3081558-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2016-10-19 EP disclosed
US-20120165317-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2012-06-28 US disclosed
EP-2322510-A2 8-substituted benzoazepines as toll-like receptor modulators Array Biopharma, Inc. (US) 2011-05-18 EP disclosed
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2008-09-25 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 (2 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-20120165317-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR7, TLR9 TLR8 1/4885TLR7 2/4885HPGD 4336/4885
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 TLR8 1/4885TLR7 2/4885HPGD 4336/4885

“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.