SCHEMBL20047537

SCHEMBL20047537

CC(C)c1nc2c(cc(C(C)(C)C)c3ccccc32)s1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
MAPT P10636 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
KIF11 P52732 2/20 0.30
XIAP P98170 1/20 0.30
CASR P41180 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
SCHEMBL20049289 0.80 RAB9A (0.43) TLR8TLR7MAPT
SCHEMBL20043218 0.80 CASR (0.33) MAPTCASR
SCHEMBL22672406 0.74 TLR8 (0.47) TLR8TLR7
SCHEMBL20047562 0.74 ATM (0.33) TLR8TLR7MAPTCASR
SCHEMBL12210439 0.73 XIAP (0.51) TLR8TLR7MAPTLOXL2XIAP
SCHEMBL16880370 0.71 IDO1 (0.43) TLR8TLR7MAPT
SCHEMBL20047532 0.70 LIPG (0.39) TLR8TLR7MAPTLOXL2CASR
SCHEMBL20047486 0.69 HSD17B10 (0.38) TLR8TLR7CASR
SCHEMBL9193166 0.69 ALDH1A1 (0.36) KIF11
SCHEMBL22672404 0.69 SMN1; SMN2 (0.33) TLR8TLR7

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 491/4885MAPT 4191/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 TLR8 901/4885TLR7 491/4885MAPT 4191/4885

“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.