SCHEMBL12308643

SCHEMBL12308643

CC(C)CC(C)(C)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
MMP8 P22894 1/20 0.36
FPR2 P25090 1/20 0.36
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CTSS P25774 1/20 0.30
MAPT P10636 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
SCHEMBL7940726 0.81 MMP8 (0.39) MMP8FPR2GAASMN1; SMN2CYP2D6
SCHEMBL12308711 0.81 KDM4C (0.38) KDM4CMMP8FPR2GAASMN1; SMN2
SCHEMBL12308770 0.79 KDM4C (0.41) KDM4CMMP8FPR2GAASMN1; SMN2
SCHEMBL20806113 0.79 MMP8 (0.38) MMP8FPR2GAASMN1; SMN2
SCHEMBL20047452 0.77 KDM4C (0.48) KDM4CGAASMN1; SMN2CYP2D6CYP2C19
SCHEMBL301722 0.75 ACACB (0.40) MMP8FPR2GAASMN1; SMN2GRM2
SCHEMBL24848098 0.74 PIK3CD (0.40) MMP8
SCHEMBL14417066 0.74 MMP8 (0.40) MMP8GAASMN1; SMN2CYP2D6CYP2C19
SCHEMBL12461121 0.74 MMP8 (0.53) MMP8FPR2GAASMN1; SMN2CYP2D6
SCHEMBL12308640 0.73 ACE (0.39) MMP8GAASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 KDM4C 1956/4885MMP8 2451/4885FPR2 4669/4885

“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.