SCHEMBL1626064

SCHEMBL1626064

C=C(CC(C#N)(C(=O)OCC)c1ccccc1)[S+]([O-])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.44
PIN1 Q13526 1/20 0.36
KCNA3 P22001 1/20 0.36
OPRM1 P35372 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 5/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 7/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 4/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL13762267 0.90 CCR1 (0.38) CCR1PIN1KCNA3OPRM1NPSR1
SCHEMBL9734283 0.80 CCR1 (0.47) CCR1PIN1KCNA3OPRM1NPSR1
SCHEMBL1625711 0.79 CCR1 (0.48) CCR1PIN1KCNA3OPRM1NPSR1
SCHEMBL9214363 0.78 CCR1 (0.50) CCR1PIN1KCNA3OPRM1NPSR1
SCHEMBL22323105 0.76 CCR1 (0.54) CCR1PIN1KCNA3OPRM1NPSR1
SCHEMBL27450756 0.76 CCR1 (0.48) CCR1PIN1KCNA3OPRM1NPSR1
SCHEMBL1533281 0.74 CCR1 (0.58) CCR1PIN1KCNA3OPRM1NPSR1
SCHEMBL1625714 0.74 ATM (0.42) CCR1KCNA3OPRM1NPSR1
SCHEMBL9734250 0.73 CCR1 (0.54) CCR1PIN1KCNA3OPRM1POLB
SCHEMBL22323061 0.73 CCR1 (0.46) CCR1PIN1KCNA3OPRM1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569405-B2 Additive mixtures for styrenic polymers BASF SE (DE) 2013-10-29 US disclosed
US-8569405-B2 Additive mixtures for styrenic polymers BASF SE (DE) 2013-10-29 US disclosed
US-8518302-B2 Stabilization of organic materials BASF SE (DE) 2013-08-27 US disclosed
US-8518302-B2 Stabilization of organic materials BASF SE (DE) 2013-08-27 US disclosed
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS GERSTER MICHELE (CH) 2012-04-12 US disclosed
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS GERSTER MICHELE (CH) 2012-04-12 US disclosed
US-8105504-B2 Stabilization of organic materials BASF SE (DE) 2012-01-31 US disclosed
US-8105504-B2 Stabilization of organic materials BASF SE (DE) 2012-01-31 US disclosed
EP-2238199-B1 ADDITIVE MIXTURES FOR STYRENIC POLYMERS BASF SE (DE) 2011-08-31 EP disclosed
US-20110046278-A1 ADDITIVE MIXTURES FOR STYRENIC POLYMERS BASF SE (US) 2011-02-24 US disclosed
US-20110046278-A1 ADDITIVE MIXTURES FOR STYRENIC POLYMERS BASF SE (US) 2011-02-24 US disclosed
US-20070257234-A1 Stabilization of Organic Materials CIBA CORPORATION 2007-11-08 US disclosed
US-20070257234-A1 Stabilization of Organic Materials CIBA CORPORATION 2007-11-08 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 (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-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS LPO, AOX1, SOD1 CCR1 2904/4885PIN1 1368/4885KCNA3 4488/4885
US-20070257234-A1 Stabilization of Organic Materials LPO, SOD1, GPX1 CCR1 3103/4885PIN1 1067/4885KCNA3 4462/4885

“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.