SCHEMBL5870652

SCHEMBL5870652

CC(C)(C)OC(=O)N[C@H](c1ccc2ccccc2c1)[C@H](O)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.49
GABRB2 P47870 1/20 0.49
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
MMP9 P14780 1/20 0.40
KLK5 Q9Y337 1/20 0.40
UGT2B7 P16662 1/20 0.40
ACACB O00763 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL5870653 1.00 GABRB1 (0.49) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL15631940 0.84 CTSK (0.52) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL8011918 0.84 CTSK (0.52) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL5848532 0.84 GABRB1 (0.52) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL5676217 0.84 GABRB1 (0.52) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL5870740 0.83 GABRB1 (0.49) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL17935535 0.82 ABCB1 (0.48) CTSSCTSKCYP2D6
SCHEMBL12241565 0.81 PPARG (0.43) CTSSCTSKCTSBCYP2D6TSHR
SCHEMBL13715427 0.79 MMP9 (0.59) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL9295219 0.79 GABRB1 (0.50) GABRB1GABRB2CTSSCTSKCTSB

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-7045551-B2 1-aryl-2-hydroxyethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
US-20040122007-A1 1-aryl-2-hydroxyethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 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-20040122007-A1 1-aryl-2-hydroxyethyl amides as potassium channel openers KCNQ3, KCNQ2, KCNQ4 GABRB1 190/4885GABRB2 205/4885CTSS 1946/4885

“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.