SCHEMBL20047532

SCHEMBL20047532

CC(C)c1nc2cc(-c3ccccc3)c(C(C)(C)C)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LIPC P11150 4/20 0.33
CASR P41180 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
SCN4A P35499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL20049287 0.82 SMN1; SMN2 (0.47) TRPV1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20043216 0.82 CASR (0.37) CASRHPGDSMN1; SMN2PIK3CAPI4KA
SCHEMBL22672545 0.77 KDM4E (0.41) LIPGLIPCSMN1; SMN2KDM4E
SCHEMBL20047441 0.77 GAA (0.41) LOXL2CASRTRPV1NPC1RAB9A
SCHEMBL20047521 0.76 ACACB (0.37) TRPV1NPC1RAB9AHPGDSCN4A
SCHEMBL20047448 0.73 ALOX15 (0.39) CASRTRPV1HPGDKDM4EMAPT
SCHEMBL24466885 0.73 HSD17B10 (0.46) LOXL2TLR8TLR7CASRNPC1
SCHEMBL2707208 0.72 NPC1 (0.45) LOXL2TLR8TLR7CASRTRPV1
SCHEMBL20047469 0.71 TLR8 (0.41) LOXL2TLR8TLR7RAB9AHPGD
SCHEMBL20047537 0.70 TLR8 (0.46) LOXL2TLR8TLR7CASRMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
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 (3 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 LIPG 1510/4885LOXL2 1891/4885TLR8 901/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 LIPG 1510/4885LOXL2 1891/4885TLR8 901/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 LIPG 1510/4885LOXL2 1891/4885TLR8 901/4885

“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.