SCHEMBL20833795

SCHEMBL20833795

OCc1c(C2CC2)cnn1-c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.40
DHODH Q02127 7/20 0.34
MAPK14 Q16539 3/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
NOD1 Q9Y239 3/20 0.31
NOD2 Q9HC29 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
NPC1 O15118 1/20 0.31
TNF P01375 1/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL20833740 0.91 NR1H4 (0.43) NR1H4DHODHMAPK14HDAC9
SCHEMBL20833797 0.86 NR1H4 (0.40) NR1H4DHODHMAPK14
SCHEMBL20833982 0.83 TP53 (0.38) DHODHNOD1NOD2NPC1TNF
SCHEMBL1095874 0.83 NR1H4 (0.42) NR1H4DHODHMAPK14GABRA1GABRB2
SCHEMBL19689518 0.81 NR1H4 (0.47) NR1H4GABRB2
SCHEMBL20833739 0.79 NR1H4 (0.42) NR1H4DHODHMAPK14HDAC9
SCHEMBL2772447 0.78 NR1H4 (0.39) NR1H4DHODHMAPK14GABRA1GABRB2
SCHEMBL20833875 0.78 NR1H4 (0.38) NR1H4DHODHNOD1NPC1TNF
SCHEMBL20833879 0.78 NR1H4 (0.41) NR1H4DHODHMAPK14HDAC9
SCHEMBL30807043 0.78 NR1H4 (0.41) NR1H4DHODHMAPK14HDAC9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
EP-3681881-B1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX INC (US) 2022-11-02 EP disclosed
US-20210380585-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-12-09 US disclosed
WO-2019055808-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2019-03-21 WO 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-20210380585-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS NR1H4, FXR1, FXR2 NR1H4 1/4885DHODH 4137/4885MAPK14 2368/4885
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders NR1H4, FXR1, FXR2 NR1H4 1/4885DHODH 4137/4885MAPK14 2368/4885

“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.