SCHEMBL21264293

SCHEMBL21264293

CN(C(=O)OC(C)(C)C)[C@@H]1CC[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ASGR1 P07306 1/20 0.40
KDM4D Q6B0I6 1/20 0.32
PDE10A Q9Y233 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.30
BUB1 O43683 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL31383834 1.00 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL30634792 1.00 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL15342729 1.00 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL25512734 1.00 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL25512736 1.00 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL2380370 0.92 HSD11B1 (0.43) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL1958715 0.89 HSD11B1 (0.43) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL1204992 0.89 HSD11B1 (0.43) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL1204990 0.89 HSD11B1 (0.43) HSD11B1CHRM2CHRM1CHRM3ASGR1
SCHEMBL13567986 0.87 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3ASGR1

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-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACUETICALS, INC. (US) 2020-11-10 US disclosed
WO-2019160813-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-08-22 WO disclosed
US-20190248777-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-08-15 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-20190248777-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, SLC10A1, FXR1 HSD11B1 135/4885CHRM2 1513/4885CHRM1 1154/4885
US-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, SLC10A1, FXR1 HSD11B1 135/4885CHRM2 1513/4885CHRM1 1154/4885

“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.