SCHEMBL22123778

SCHEMBL22123778

CC[C@@]1(O)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
HDAC8 Q9BY41 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SPHK1 Q9NYA1 1/20 0.33
NR1H2 P55055 1/20 0.33
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
RORC P51449 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
SCHEMBL20584483 1.00 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL20446517 1.00 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL22123735 1.00 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL29239179 1.00 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL29239178 1.00 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL16774511 0.89 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL16774512 0.87 SMN1; SMN2 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL2380326 0.86 IMPDH2 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL2380328 0.86 IMPDH2 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL5512140 0.84 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 CN disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 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 (6 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 HSD17B10 3451/4885HDAC8 1656/4885SMN1; SMN2 1951/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 HSD17B10 3451/4885HDAC8 1656/4885SMN1; SMN2 1951/4885
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS MRPL21, F12, MRPS34 HSD17B10 2338/4885HDAC8 1418/4885SMN1; SMN2 2004/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 HSD17B10 3443/4885HDAC8 1665/4885SMN1; SMN2 2011/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X HSD17B10 3257/4885HDAC8 1417/4885SMN1; SMN2 2453/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 HSD17B10 3628/4885HDAC8 1476/4885SMN1; SMN2 1986/4885

“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.