SCHEMBL20536296

SCHEMBL20536296

COC(=O)c1cc(Br)c2ccn(CCO[Si](C)(C)C(C)(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.38
MAPK10 P53779 4/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
RHEB Q15382 1/20 0.34

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
SCHEMBL21839944 0.83 MAPK10 (0.36) MAPK10KDM4EUSP2SMN1; SMN2NOTUM
SCHEMBL30444724 0.83 MAPK10 (0.36) MAPK10KDM4EUSP2SMN1; SMN2NOTUM
SCHEMBL12709757 0.81 KDM4E (0.53) DUTKDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL21624151 0.80 DUT (0.40) DUT
SCHEMBL29968395 0.80 DUT (0.40) DUT
SCHEMBL16899416 0.78 NOTUM (0.43) MAPK10KDM4EUSP2SMN1; SMN2NOTUM
SCHEMBL21839919 0.76 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL30444026 0.76 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL31300570 0.76 NPC1 (0.38) MAPK10KDM4EUSP2SMN1; SMN2NOTUM
SCHEMBL20605036 0.76 NPC1 (0.38) MAPK10KDM4EUSP2SMN1; SMN2NOTUM

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 9 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
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 DUT 1896/4885MAPK10 4060/4885KDM4E 3805/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 DUT 2169/4885MAPK10 4021/4885KDM4E 3573/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 DUT 1896/4885MAPK10 4060/4885KDM4E 3805/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 DUT 2737/4885MAPK10 4257/4885KDM4E 4485/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 DUT 2169/4885MAPK10 4021/4885KDM4E 3573/4885

“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.