SCHEMBL20178587

SCHEMBL20178587

CCCCc1ccc(C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.57
KAT8 Q9H7Z6 2/20 0.54
PPARG P37231 1/20 0.54
RARB P10826 4/20 0.52
RARA P10276 1/20 0.52
RARG P13631 1/20 0.52
EIF4A1 P60842 1/20 0.48
PLK1 P53350 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
METAP2 P50579 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL20556198 0.94 PPARA (0.67) PPARAKAT8PPARGRARBRARA
SCHEMBL20556222 0.94 PPARA (0.67) PPARAKAT8PPARGRARBRARA
SCHEMBL20178593 0.85 PPARA (0.46) PPARAKAT8PPARGPLK1ALDH1A1
SCHEMBL20178562 0.83 ALDH1A1 (0.46) PPARAALDH1A1HPGDHSD17B10METAP2
SCHEMBL1356365 0.82 KAT8 (0.66) PPARAKAT8PPARGRARBRARA
SCHEMBL25489233 0.81 CES2 (0.42) PPARARARBRARARARGALDH1A1
SCHEMBL27847003 0.81 CES2 (0.42) PPARAPPARGALDH1A1HPGDHSD17B10
SCHEMBL551744 0.79 RARB (0.68) PPARAKAT8PPARGRARBRARA
SCHEMBL28646119 0.79 NPC1 (0.50) PPARAKAT8ALDH1A1HPGDHSD17B10
SCHEMBL4959413 0.79 PPARA (0.88) PPARAKAT8PPARGRARBRARA

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 PPARA 241/4885KAT8 1963/4885PPARG 33/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 PPARA 241/4885KAT8 1963/4885PPARG 33/4885

“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.