SCHEMBL6401312

SCHEMBL6401312

CC(C)(C)ON(C=O)[C@@H](CO)COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
PPARA Q07869 2/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CTSS P25774 1/20 0.38
PPARG P37231 1/20 0.37
SLC1A1 P43005 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4729192 0.84 OPRK1 (0.40) CTSSCYP3A4
SCHEMBL6400372 0.84 OPRK1 (0.40) CTSSCYP3A4
SCHEMBL4730804 0.82 SMN1; SMN2 (0.37) HTTCTSSRAB9ACYP3A4L3MBTL1
SCHEMBL4895988 0.76 OPRK1 (0.38) CTSSCYP3A4
SCHEMBL2447894 0.75 SLC1A1 (0.45) CA1PPARAMAOBNPSR1CA2
SCHEMBL4864100 0.74 NPSR1 (0.48) CA1PPARAMAOBNPSR1CTSS
SCHEMBL8618352 0.73 PPARA (0.40) PPARAHTTNPSR1CTSSPPARG
SCHEMBL8438254 0.73 CYP2D6 (0.33) CA2CYP3A4POLB
SCHEMBL4731615 0.72 PNMT (0.41) MAOB
SCHEMBL6184942 0.72 NR1H2 (0.36) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 CA1 1017/4885PPARA 4618/4885MAOB 2491/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CA1 659/4885PPARA 4589/4885MAOB 2381/4885

“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.