SCHEMBL21940182

SCHEMBL21940182

Oc1ccc(C#CSI)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.43
▸ TTR P02766 2/20 0.38
▸ ESR1 P03372 11/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ ESR2 Q92731 6/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ BACE1 P56817 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
SCHEMBL24031269 0.75 HSD17B10 (0.48) HSD17B10TTRESR1CA12CA1
SCHEMBL20536435 0.70 HSD17B10 (0.43) HSD17B10TTRESR1CA12CA1
SCHEMBL30444035 0.70 HSD17B10 (0.43) HSD17B10TTRESR1CA12CA1
SCHEMBL10650840 0.70 HSD17B10 (0.52) HSD17B10TTRESR1CA12CA1
SCHEMBL473963 0.70 TRPV4 (0.57) HSD17B10TTRESR1CA12CA1
SCHEMBL17672644 0.70 HSD17B10 (0.52) HSD17B10TTRESR1CA12CA1
SCHEMBL17672488 0.69 CA9 (0.47) HSD17B10TTRESR1CA12CA2
SCHEMBL17672490 0.68 TSHR (0.53) HSD17B10TTRCA12CA1CA2
SCHEMBL24258157 0.67 APP (0.48) HSD17B10ESR1CA12CA1CA2
SCHEMBL24258142 0.65 CA12 (0.45) HSD17B10ESR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 HSD17B10 455/4885TTR 4266/4885ESR1 463/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 HSD17B10 244/4885TTR 2448/4885ESR1 472/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 HSD17B10 455/4885TTR 4266/4885ESR1 463/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 HSD17B10 244/4885TTR 2448/4885ESR1 472/4885

“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.

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