SCHEMBL20047517

SCHEMBL20047517

Cc1c(C(C)(C)C)ccc2nc(C(C)C)sc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ACACB O00763 7/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SCN4A P35499 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ACACA Q13085 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
SCHEMBL14066392 0.80 TLR8 (0.40) TLR8TLR7ACACBNPC1RAB9A
SCHEMBL19598890 0.78 TLR8 (0.46) TLR8TLR7ACACBNPC1RAB9A
SCHEMBL20043206 0.78 CASR (0.33) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL20047469 0.78 TLR8 (0.41) TLR8TLR7RAB9AMAPT
SCHEMBL24143318 0.71 TLR8 (0.37) TLR8TLR7
SCHEMBL14274193 0.69 TLR8 (0.46) TLR8TLR7NPC1RAB9ASMN1; SMN2
SCHEMBL13561531 0.68 TLR8 (0.36) TLR8TLR7ACACBNPC1RAB9A
SCHEMBL20047587 0.68 CCR4 (0.32)
SCHEMBL20047441 0.68 GAA (0.41) ACACBNPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL24199111 0.67 NPC1 (0.43) TLR8TLR7ACACBNPC1RAB9A

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 491/4885ACACB 419/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 TLR8 901/4885TLR7 491/4885ACACB 419/4885

“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.