SCHEMBL6400372

SCHEMBL6400372

CC(C)(C)ON(C=O)[C@H](CO)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.40
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BACE1 P56817 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CTRB1 P17538 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
MMP8 P22894 1/20 0.34

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 1.00 OPRK1 (0.40) OPRK1OPRM1OPRD1TRPA1ATM
SCHEMBL4895988 0.89 OPRK1 (0.38) OPRK1OPRM1OPRD1TRPA1ATM
SCHEMBL4728453 0.86 SLC6A2 (0.35) CYP3A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL4730804 0.86 SMN1; SMN2 (0.37) ATMMEN1KMT2ACYP3A4MAPK1
SCHEMBL4731615 0.84 PNMT (0.41) TAAR1CTSL
SCHEMBL6401312 0.84 CA1 (0.40) CYP3A4CTSS
SCHEMBL8438254 0.82 CYP2D6 (0.33) CYP3A4MAPK1
SCHEMBL28438381 0.81 CSNK1E (0.40) OPRK1OPRM1OPRD1EPHX1
SCHEMBL8530952 0.80 KMT2A (0.34) OPRK1OPRM1OPRD1ATMMEN1
SCHEMBL28233244 0.80 CYP1A2 (0.41) OPRK1OPRM1OPRD1ATMCTRB1

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 OPRK1 2464/4885OPRM1 1274/4885OPRD1 1405/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 OPRK1 2061/4885OPRM1 1172/4885OPRD1 929/4885

“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.