SCHEMBL20178558

SCHEMBL20178558

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PLK1 P53350 2/20 0.40
PLK3 Q9H4B4 1/20 0.40
CYP4A11 Q02928 2/20 0.39
MDH1 P40925 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RARB P10826 2/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
CYP4F2 P78329 1/20 0.38
PTGS2 P35354 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
SCHEMBL22437325 0.90 PTPN1 (0.38) NPC1MAPK1RAB9A
SCHEMBL12124431 0.84 CA12 (0.41) HPGDMAPK1HSD17B10
SCHEMBL20178583 0.81 PLK1 (0.48) GPR84HPGDNPC1MAPK1HTT
SCHEMBL14261951 0.79 ALPL (0.46) NPC1HTTRAB9ARARBRARA
SCHEMBL23583044 0.79 ALDH1A1 (0.37) HPGDMAPK1ALDH1A1HSD17B10
SCHEMBL21957016 0.77 CYP4F2 (0.40) HPGDMAPK1CYP4A11CYP4F2
SCHEMBL18006744 0.77 LOXL2 (0.50) HPGDNPC1MAPK1RAB9AALDH1A1
SCHEMBL16247137 0.77 CYP4A11 (0.51) GPR84HPGDNPC1MAPK1HTT
SCHEMBL19259022 0.77 CYP4A11 (0.51) GPR84HPGDNPC1MAPK1HTT
SCHEMBL6503019 0.77 PTGS2 (0.50) GPR84HPGDNPC1MAPK1HTT

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 GPR84 155/4885HPGD 656/4885NPC1 89/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 GPR84 155/4885HPGD 656/4885NPC1 89/4885

“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.