SCHEMBL20178583

SCHEMBL20178583

CCCCc1cc(F)c(C(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.48
PLK3 Q9H4B4 2/20 0.48
RARB P10826 4/20 0.48
RARA P10276 1/20 0.48
RARG P13631 1/20 0.48
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR84 Q9NQS5 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HCAR2 Q8TDS4 2/20 0.44
HCAR3 P49019 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL9243477 0.95 RARB (0.54) PLK1PLK3RARBRARARARG
SCHEMBL20556294 0.93 RARB (0.56) PLK1PLK3RARBRARARARG
SCHEMBL24492690 0.91 RARB (0.48) PLK1PLK3RARBRARARARG
SCHEMBL13808390 0.89 PTPN1 (0.44) PLK1PLK3RARBRARARARG
SCHEMBL20178558 0.81 GPR84 (0.41) PLK1PLK3RARBRARARARG
SCHEMBL12181094 0.80 RXRA (0.44) PLK1PLK3RARBRARARARG
SCHEMBL19557553 0.80 RARB (0.56) PLK1PLK3RARBRARARARG
SCHEMBL28926985 0.79 KAT8 (0.54) RARBRARARARGHPGDALDH1A1
SCHEMBL9913190 0.79 RARB (0.72) PLK1PLK3RARBRARARARG
SCHEMBL31590952 0.77 HCAR2 (0.43) PLK1PLK3RARBRARARARG

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 PLK1 3718/4885PLK3 4524/4885RARB 877/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 PLK1 3718/4885PLK3 4524/4885RARB 877/4885

“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.