SCHEMBL20047449

SCHEMBL20047449

CCCCCCC(C)(CCCC)C(F)(F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.48
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
FAAH O00519 11/20 0.42
CES1 P23141 9/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLA2G6 O60733 1/20 0.41

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
SCHEMBL23502535 0.98 CES2 (0.50) CES2LPAR1LPAR3FAAHCES1
SCHEMBL23502505 0.80 CES2 (0.44) CES2LPAR1LPAR3FAAHCES1
SCHEMBL21137757 0.80 CES2 (0.42) CES2MEN1KMT2AHSD17B10
SCHEMBL13883932 0.80 CES2 (0.52) CES2LPAR1LPAR3FAAHCES1
SCHEMBL13883874 0.80 CES2 (0.52) CES2LPAR1LPAR3FAAHCES1
SCHEMBL8626643 0.79 CES2 (0.55) CES2LPAR1LPAR3FAAHCES1
SCHEMBL8626646 0.79 CES2 (0.55) CES2LPAR1LPAR3FAAHCES1
SCHEMBL23502565 0.78 CES2 (0.46) CES2LPAR1LPAR3FAAHCES1
SCHEMBL28616981 0.78 CES2 (0.53) CES2LPAR1LPAR3FAAHCES1
SCHEMBL29010402 0.78 CES2 (0.44) CES2MEN1KMT2AHSD17B10

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 5 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-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (5 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 CES2 1053/4885LPAR1 576/4885LPAR3 300/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CES2 1053/4885LPAR1 576/4885LPAR3 300/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 CES2 1195/4885LPAR1 636/4885LPAR3 336/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CES2 1053/4885LPAR1 576/4885LPAR3 300/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 CES2 1195/4885LPAR1 636/4885LPAR3 336/4885

“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.