SCHEMBL8215545

SCHEMBL8215545

CCOC(=O)[C@H](O)[C@@H](OCc1ccccc1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.57
KMT2A Q03164 3/20 0.50
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MMP8 P22894 1/20 0.46
PIN1 Q13526 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12216811 1.00 PTGS2 (0.57) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL23485348 1.00 PTGS2 (0.57) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL9532125 0.90 KMT2A (0.56) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL20418679 0.88 L3MBTL1 (0.52) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL10795444 0.86 PTGS2 (0.51) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL2000769 0.86 L3MBTL1 (0.54) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL10797135 0.85 PTGS2 (0.50) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL8930325 0.84 LMNA (0.52) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL8930328 0.84 LMNA (0.52) PTGS2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7740325 0.84 SLC1A3 (0.50) PTGS2KMT2ASLC1A3SLC1A2SLC1A1

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-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF PTGS2 410/4885KMT2A 3845/4885SLC1A3 1283/4885

“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.