SCHEMBL20535166

SCHEMBL20535166

C[Si](C)(C)C#Cc1ccc(O)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.44
HSD17B3 P37058 1/20 0.36
ESR2 Q92731 1/20 0.35
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PGR P06401 2/20 0.34
NTSR1 P30989 1/20 0.34
VCP P55072 1/20 0.34
KIF11 P52732 1/20 0.34
TNIK Q9UKE5 1/20 0.33

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
SCHEMBL30444423 1.00 AR (0.44) ARHSD17B3ESR2NR1I2ALDH1A1
SCHEMBL10088537 0.81 AR (0.45) AR
SCHEMBL1914296 0.81 GABRA1 (0.36) ARPGR
SCHEMBL1762439 0.80 GAA (0.47) ARALDH1A1HSD17B10PGRKIF11
SCHEMBL28344889 0.76 AR (0.41) ARPGR
SCHEMBL3347622 0.75 FFAR1 (0.40) ARALDH1A1CYP2C9HSD17B10
SCHEMBL17672783 0.75 NOTUM (0.52) ARALDH1A1LMNAHTTHSD17B10
SCHEMBL21839795 0.74 AR (0.40) ARPGR
SCHEMBL20536435 0.74 HSD17B10 (0.43) ARESR2ALDH1A1CYP2C9HSD17B10
SCHEMBL30444035 0.74 HSD17B10 (0.43) ARESR2ALDH1A1CYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 US disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 US disclosed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
EP-3612520-B1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMA (KR) 2021-11-10 EP disclosed
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2021-06-24 US disclosed
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-27 US disclosed
US-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2020-04-16 US disclosed
EP-3612520-A1 AN ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USED THEREOF Il Dong Pharmaceutical Co., Ltd. (KR) 2020-02-26 EP disclosed
CN-110678450-A Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2020-01-10 CN disclosed
WO-2018190643-A1 AN ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USED THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2018-10-18 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 (5 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-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 AR 478/4885HSD17B3 153/4885ESR2 343/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 AR 149/4885HSD17B3 82/4885ESR2 220/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 AR 478/4885HSD17B3 153/4885ESR2 343/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 AR 194/4885HSD17B3 71/4885ESR2 234/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 AR 149/4885HSD17B3 82/4885ESR2 220/4885

“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.