SCHEMBL20047521

SCHEMBL20047521

CC(C)c1nc2cc(F)c(C(C)(C)C)cc2s1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.37
TRPV1 Q8NER1 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SCN4A P35499 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
SCHEMBL26438869 0.83 ACACB (0.41) ACACBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20047441 0.83 GAA (0.41) ACACBTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL20047448 0.79 ALOX15 (0.39) ACACBTRPV1ALDH1A1TP53MAPT
SCHEMBL20048893 0.79 SMN1; SMN2 (0.55) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20043213 0.79 CASR (0.37) ACACBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2707208 0.77 NPC1 (0.45) ACACBTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL20047532 0.76 LIPG (0.39) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12269123 0.71 TRPV1 (0.42) TRPV1NPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL18596032 0.71 TRPV1 (0.51) TRPV1
SCHEMBL86109 0.71 GAA (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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 ACACB 419/4885TRPV1 956/4885NPC1 52/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 ACACB 419/4885TRPV1 956/4885NPC1 52/4885

“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.