SCHEMBL20043214

SCHEMBL20043214

CC(C)(C)c1nc2cc(Br)c(C(C)(C)C)cc2s1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CASR P41180 8/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
PTPN2 P17706 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL20049286 0.83 SMN1; SMN2 (0.55) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL2705764 0.81 RAB9A (0.45) PPOXNPC1RAB9AALDH1A1TP53
SCHEMBL20043205 0.81 GAA (0.44) PPOXNPC1RAB9AALDH1A1TP53
SCHEMBL23502490 0.79 NPC1 (0.33) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL20043213 0.79 CASR (0.37) PPOXNPC1RAB9AALDH1A1TP53
SCHEMBL19749195 0.79 SMN1; SMN2 (0.52) PPOXNPC1RAB9AALDH1A1TP53
SCHEMBL20047528 0.77 PTGS1 (0.33) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL20043211 0.77 CASR (0.43) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL21652286 0.74 PPARA (0.51) NPC1RAB9ACASRGAACYP3A4
SCHEMBL7873642 0.74 PPARA (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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-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
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 PPOX 1755/4885NPC1 52/4885RAB9A 2692/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 PPOX 1755/4885NPC1 52/4885RAB9A 2692/4885

“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.