SCHEMBL20047500

SCHEMBL20047500

COc1cc(C(C)C)cc2sc(C(C)(C)C)nc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
CASR P41180 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
SCN4A P35499 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL20047719 0.85 NPC1 (0.30) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL23502448 0.80 HSD17B10 (0.37) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL21098148 0.80 ALDH1A1 (0.34) CRHR1ALDH1A1NPC1SCN4ARAB9A
SCHEMBL21097668 0.80 MAPT (0.48) CRHR1ALDH1A1NPC1SCN4ARAB9A
SCHEMBL20043170 0.80 ALDH1A1 (0.34) CASRALDH1A1CYP3A4TDP1MAPT
SCHEMBL21161373 0.79 RAB9A (0.33) ALDH1A1NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20049394 0.79 ALDH1A1 (0.36) CASRALDH1A1NPC1SCN4ARAB9A
SCHEMBL23502495 0.79 NPC1 (0.40) ALDH1A1NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL23502494 0.79 GABRA1 (0.36) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL23502489 0.77 NPC1 (0.32) NPC1SCN4ARAB9ASMN1; SMN2

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 CRHR1 493/4885CASR 879/4885ALDH1A1 1577/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CRHR1 493/4885CASR 879/4885ALDH1A1 1577/4885

“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.