SCHEMBL9775242

SCHEMBL9775242

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ECE1 P42892 1/20 0.39
MME P08473 2/20 0.38
ACE P12821 2/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CTH P32929 1/20 0.38
EGLN1 Q9GZT9 2/20 0.36
MMP8 P22894 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.33
APEX1 P27695 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL19110991 0.82 MMP8 (0.35) MMP8CYP2D6CYP2C19
SCHEMBL12308376 0.81 ECE1 (0.42) ECE1MMP8CYP2D6CYP2C19GAA
SCHEMBL22893651 0.79 MMP8 (0.42) MMP8CYP2D6CYP2C19GAASMN1; SMN2
SCHEMBL12308381 0.78 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL12308360 0.77 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL11940947 0.77 RIPK1 (0.52) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL12180039 0.76 CNR1 (0.42) ALDH1A1MAPTTDP1MMP8CYP2D6
SCHEMBL19248359 0.76 KDM4C (0.40) ALDH1A1LMNAMMP8CYP2D6CYP2C19
SCHEMBL5541518 0.75 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL9476287 0.75 CTH (0.40) ALDH1A1LMNAMAPTPTGS2TDP1

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-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
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US disclosed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP 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 ALDH1A1 203/4885LMNA 3345/4885MAPT 4729/4885

“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.