SCHEMBL4513643

SCHEMBL4513643

CC(C)(C)OC[C@](C)(Nc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
HSD17B10 Q99714 3/20 0.37
NAPRT Q6XQN6 1/20 0.37
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11390719 0.86 MAPT (0.45) MAPTGAAHPGDRAB9APRSS1
SCHEMBL28174957 0.80 RIPK1 (0.42) MAPTGAAHPGDRAB9AHSD17B10
SCHEMBL9693754 0.80 NPSR1 (0.44) MAPTGAAHPGDRAB9AHSD17B10
SCHEMBL4535861 0.80 RIPK1 (0.42) MAPTGAAHPGDRAB9AHSD17B10
SCHEMBL31052866 0.79 MAPT (0.44) MAPTGAAHPGDRAB9AHSD17B10
SCHEMBL10955639 0.79 CYP2C19 (0.48) MAPTGAAHPGDRAB9AHSD17B10
SCHEMBL28730004 0.77 MMP8 (0.50) MAPTHPGDHSD17B10ALDH1A1TDP1
SCHEMBL10765101 0.76 GAA (0.48) MAPTGAAALDH1A1HTTTDP1
SCHEMBL8785614 0.73 PPARA (0.54) RAB9ATSHRSMN1; SMN2
SCHEMBL23137093 0.72 SMN1; SMN2 (0.48) MAPTHPGDRAB9AHSD17B10ALDH1A1

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA MAPT 236/4885GAA 1887/4885HPGD 1193/4885

“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.