SCHEMBL12308355

SCHEMBL12308355

CC(C)C1CC2CCC1(C(N)=O)C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.35
MAPK14 Q16539 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 2/20 0.31
EPHX1 P07099 2/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL12308356 0.85 NPSR1 (0.33) RETMAPK14CAMK1DEPHX2
SCHEMBL25509324 0.81
SCHEMBL25509327 0.81 GRIN1 (0.32) EPHX2
SCHEMBL3455318 0.77 TDP1 (0.37) TDP1L3MBTL1EPHX2
SCHEMBL2319028 0.77 TDP1 (0.37) TDP1L3MBTL1EPHX2
SCHEMBL13766696 0.74 EPHX1 (0.35) TDP1L3MBTL1EPHX1
SCHEMBL16383054 0.68 MAPT (0.31) TDP1L3MBTL1EPHX1
SCHEMBL11798165 0.67 ATP1A1 (0.33) L3MBTL1EPHX2
SCHEMBL12308353 0.66
SCHEMBL24208732 0.65 GRIN1 (0.37) EPHX2

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-11655238-B2 MMPL3 inhibitors, compositions and uses thereof SHANGHAITECH UNIVERSITY (CN) 2023-05-23 US disclosed
US-11655238-B2 MMPL3 inhibitors, compositions and uses thereof SHANGHAITECH UNIVERSITY (CN) 2023-05-23 US disclosed
US-20220017492-A1 MMPL3 INHIBITORS, COMPOSITIONS AND USES THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-01-20 US disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 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-11655238-B2 MMPL3 inhibitors, compositions and uses thereof TIMP3, AFG3L2, MMP3 RET 4640/4885MAPK14 1306/4885CAMK1D 1350/4885
US-20220017492-A1 MMPL3 INHIBITORS, COMPOSITIONS AND USES THEREOF TIMP3, AFG3L2, MMP3 RET 4640/4885MAPK14 1306/4885CAMK1D 1350/4885
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 RET 3399/4885MAPK14 2983/4885CAMK1D 3597/4885
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 RET 2048/4885MAPK14 2393/4885CAMK1D 3258/4885

“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.