SCHEMBL21839969

SCHEMBL21839969

Oc1ccc(I)c(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 3/20 0.40
NOTUM Q6P988 1/20 0.38
HSD17B10 Q99714 4/20 0.36
HPGD P15428 4/20 0.36
HSP90AA1 P07900 4/20 0.36
ESR2 Q92731 6/20 0.33
ESR1 P03372 5/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 3/20 0.32
ALOX12 P18054 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
HIF1A Q16665 2/20 0.31
ALOX5 P09917 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
SCHEMBL68064 0.82 CYP3A4 (0.75) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL31392414 0.82 CYP3A4 (0.75) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL7743436 0.82 CYP3A4 (0.75) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL16180685 0.82 NOTUM (0.48) TSHRNOTUMLMNA
SCHEMBL16837415 0.81 MAPK1 (0.46) CYP3A4MAPK1TSHRNOTUMHSD17B10
SCHEMBL2426165 0.76
SCHEMBL136940 0.71 CYP3A4 (1.00) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL6273598 0.71 CYP3A4 (0.60) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL6505405 0.71 NOTUM (0.52) CYP3A4MAPK1TSHRNOTUMLMNA
SCHEMBL14207902 0.70 NOTUM (0.46) CYP3A4MAPK1TSHRNOTUMHSD17B10

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 7 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
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
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

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 CYP3A4 26/4885MAPK1 3565/4885TSHR 479/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 CYP3A4 234/4885MAPK1 2688/4885TSHR 478/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 CYP3A4 26/4885MAPK1 3565/4885TSHR 479/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 CYP3A4 199/4885MAPK1 3454/4885TSHR 545/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 CYP3A4 234/4885MAPK1 2688/4885TSHR 478/4885

“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.