SCHEMBL20047469

SCHEMBL20047469

CC(C)c1nc2ccc(C(C)(C)C)c(-c3ccccc3)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
HPGD P15428 1/20 0.33
RORC P51449 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
NOD2 Q9HC29 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
XIAP P98170 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
GCGR P47871 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
TP53 P04637 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL20043217 0.81 KDM4E (0.34) HPGDRORCMAPTRAB9AAKT1
SCHEMBL20047517 0.78 TLR8 (0.36) TLR8TLR7MAPTRAB9A
SCHEMBL19598890 0.73 TLR8 (0.46) TLR8TLR7MAPTRAB9APAX8
SCHEMBL23502413 0.72 RORC (0.34) TLR8TLR7HPGDRORCMAPT
SCHEMBL20047532 0.71 LIPG (0.39) TLR8TLR7HPGDMAPTRAB9A
SCHEMBL24712273 0.68 TLR8 (0.51) TLR8TLR7HPGDMAPTRAB9A
SCHEMBL18134391 0.67 XIAP (0.52) TLR8TLR7MAPTL3MBTL1XIAP
SCHEMBL24143318 0.66 TLR8 (0.37) TLR8TLR7
SCHEMBL24466831 0.65 TLR8 (0.48) TLR8TLR7HPGDMAPTRAB9A
SCHEMBL28324713 0.65 ESR1 (0.53) HPGDMAPTRAB9AFABP3FABP4

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 TLR8 901/4885TLR7 491/4885HPGD 651/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 TLR8 901/4885TLR7 491/4885HPGD 651/4885

“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.