SCHEMBL20178574

SCHEMBL20178574

CCCCCCC(C)c1ccc(C(=O)OC)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.46
LNPEP Q9UIQ6 2/20 0.46
MGLL Q99685 4/20 0.44
GRM2 Q14416 1/20 0.41
DPP4 P27487 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
MLYCD O95822 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL1765379 0.88 ERAP2 (0.46) ERAP2LNPEPMGLLGRM2TAS1R3
SCHEMBL11249734 0.86 ERAP2 (0.50) ERAP2LNPEPMGLLGRM2DPP4
SCHEMBL20178624 0.85 RARB (0.51)
SCHEMBL20178566 0.85 MGLL (0.55) ERAP2LNPEPMGLLKDM4EMAPT
SCHEMBL12263286 0.77 CA1 (0.49) DPP4KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL14640215 0.76 MGLL (0.49) MGLLGRM2ALDH1A1MAPTNPC1
SCHEMBL24653299 0.76 GCGR (0.38) GRM2
SCHEMBL16741196 0.76 CA1 (0.47) DPP4KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL22792006 0.76 GCGR (0.38) GRM2
SCHEMBL25933744 0.76 CA1 (0.47) DPP4KDM4EALDH1A1HPGDL3MBTL1

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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 ERAP2 742/4885LNPEP 3064/4885MGLL 1356/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 ERAP2 742/4885LNPEP 3064/4885MGLL 1356/4885

“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.