SCHEMBL860599

SCHEMBL860599

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.37
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
AAK1 Q2M2I8 2/20 0.30
FPR2 P25090 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
SCHEMBL20806113 0.81 MMP8 (0.38) MMP8GAASMN1; SMN2PIK3CDFPR2
SCHEMBL24700130 0.78 MMP8 (0.35) MMP8GRM2GRM3PIK3CDFPR2
SCHEMBL12308387 0.76 PIK3CD (0.40) MMP8GRM2GRM3PIK3CD
SCHEMBL4173669 0.76 POLB (0.35)
SCHEMBL13065932 0.76 MMP8 (0.36) MMP8GAASMN1; SMN2PIK3CDFPR2
SCHEMBL23168321 0.76 CYP2C19 (0.41) MMP8GRM2GRM3GAASMN1; SMN2
SCHEMBL12335922 0.76 EPHX1 (0.41)
SCHEMBL12308386 0.75 CYP1A2 (0.37) MMP8PIK3CDFPR2
SCHEMBL12308896 0.75 ALDH1A1 (0.31)
SCHEMBL14104999 0.74 MMP8 (0.35) MMP8PIK3CDFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143413-B2 Polycationized phospholipid derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-27 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-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 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 (2 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
US-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES PHOSPHO1, PLTP, PTDSS2 MMP8 4720/4885GRM2 2705/4885GRM3 2351/4885

“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.