SCHEMBL2727520

SCHEMBL2727520

CN(C(=O)OC(C)(C)C)[C@H](COCc1ccccc1)COC[C@@H]1COC(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KLK7 P49862 2/20 0.39
KLK5 Q9Y337 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
PPARA Q07869 2/20 0.38
RAB9A P51151 1/20 0.36
CTSS P25774 1/20 0.36
MAOB P27338 1/20 0.35
DGAT1 O75907 1/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
F10 P00742 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
SCHEMBL212941 1.00 TMEM97 (0.40) TMEM97SIGMAR1NPSR1KLK7KLK5
SCHEMBL211164 0.83 CA2 (0.37)
SCHEMBL9606659 0.83 CA2 (0.37)
SCHEMBL2728356 0.83 CA2 (0.37)
SCHEMBL212186 0.82 PPARA (0.49) TMEM97SIGMAR1KLK7KLK5L3MBTL1
SCHEMBL2727081 0.82 PPARA (0.49) TMEM97SIGMAR1KLK7KLK5L3MBTL1
SCHEMBL2727114 0.78 GSK3B (0.34) DGAT1F10
SCHEMBL211652 0.78 GSK3B (0.34) DGAT1F10
SCHEMBL27810811 0.78 TMEM97 (0.40) TMEM97SIGMAR1KLK7KLK5PPARA
SCHEMBL28784588 0.78 TMEM97 (0.42) TMEM97SIGMAR1KLK7KLK5PPARA

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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 TMEM97 2659/4885SIGMAR1 1653/4885NPSR1 3598/4885

“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.