SCHEMBL12308385

SCHEMBL12308385

CC(C)CC(C)(C)C(=O)NCC(C)(C)N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.35
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9497704 0.78 CFTR (0.31)
SCHEMBL22893651 0.78 MMP8 (0.42) MMP8CYP2D6CYP2C19
SCHEMBL12335918 0.78 RIPK1 (0.46)
SCHEMBL12308365 0.77 MMP8 (0.35) MMP8CYP2D6CYP2C19
SCHEMBL19110991 0.77 MMP8 (0.35) MMP8CYP2D6CYP2C19
SCHEMBL21393301 0.77 MMP8 (0.39) MMP8CYP2D6CYP2C19
SCHEMBL12308382 0.75 MMP8 (0.39) MMP8GRM2GRM3CYP2D6CYP2C19
SCHEMBL7336172 0.74 CA1 (0.38)
SCHEMBL9775242 0.74 ALDH1A1 (0.44) MMP8CYP2D6CYP2C19
SCHEMBL12180039 0.74 CNR1 (0.42) MMP8CYP2D6CYP2C19

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 MMP8 2451/4885GRM2 1562/4885GRM3 813/4885

“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.