SCHEMBL9918706

SCHEMBL9918706

CCOc1c(SSc2cnn(-c3ccccc3)c(=O)c2OCC)cnn(-c2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
PPARG P37231 3/20 0.56
NCOA2 Q15596 3/20 0.56
NCOA1 Q15788 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
BLM P54132 1/20 0.56
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPBWR1 P48145 6/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MCHR1 Q99705 4/20 0.44
RAB9A P51151 3/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL9917046 0.94 ALDH1A1 (0.50) NPSR1ALDH1A1MAPTPPARGNCOA2
SCHEMBL1462027 0.93 NPSR1 (0.52) NPSR1ALDH1A1MAPTPPARGNCOA2
SCHEMBL1461851 0.91 ALDH1A1 (0.47) NPSR1ALDH1A1MAPTPPARGNCOA2
SCHEMBL9918819 0.89 NPSR1 (0.53) NPSR1ALDH1A1MAPTPPARGNCOA2
SCHEMBL9896063 0.86 NPC1 (0.51) NPSR1ALDH1A1MAPTPPARGNCOA2
SCHEMBL1461433 0.85 MAPT (0.41) NPSR1ALDH1A1MAPTPPARGNCOA2
SCHEMBL9917036 0.82 NPBWR1 (0.47) NPSR1ALDH1A1MAPTPPARGNCOA2
SCHEMBL1460616 0.82 GAA (0.54) NPSR1ALDH1A1MAPTPPARGNCOA2
SCHEMBL1461679 0.82 GAA (0.74) NPSR1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL9917035 0.80 NPBWR1 (0.39) NPSR1ALDH1A1MAPTPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 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-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR NPSR1 1796/4885ALDH1A1 2421/4885MAPT 3322/4885

“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.