SCHEMBL4912425

SCHEMBL4912425

N#C/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.79
L3MBTL1 Q9Y468 2/20 0.79
ALDH1A1 P00352 8/20 0.70
HPGD P15428 7/20 0.70
KDM4E B2RXH2 5/20 0.70
KMT2A Q03164 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MEN1 O00255 3/20 0.70
HSD17B10 Q99714 2/20 0.70
POLB P06746 2/20 0.70
GAA P10253 1/20 0.70
ALPG P10696 1/20 0.70
ALOX15 P16050 1/20 0.70
ALOX12 P18054 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MAPT P10636 4/20 0.57
NEK2 P51955 1/20 0.54
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL4909612 1.00 PKM (0.79) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4909621 1.00 PKM (0.79) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11761154 0.94 PKM (0.76) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11761160 0.94 PKM (0.76) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11757992 0.92 PKM (0.78) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL1248023 0.90 PKM (0.76) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL1248024 0.90 PKM (0.76) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11744756 0.89 PKM (0.74) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11744761 0.89 PKM (0.74) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL29289246 0.89 PKM (0.74) PKML3MBTL1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113528593-B Method for preparing alpha-phenyl cinnamonitrile derivative based on mechanical ball milling-enzyme catalytic coupling technology 浙江工业大学 2024-02-02 CN disclosed
CN-113528593-A Method for preparing alpha-phenylcinnamonitrile derivative based on mechanical ball milling-enzyme catalytic coupling technology 浙江工业大学 2021-10-22 CN disclosed
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS UNIV NANYANG TECH (SG) 2016-07-21 US disclosed
US-9206090-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-12-08 US disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-11-03 US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 US disclosed
EP-1791901-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-06-06 EP disclosed
WO-2006024611-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 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 (3 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-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS SCO2, CBR3, HCCS PKM 4035/4885L3MBTL1 2437/4885ALDH1A1 3150/4885
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS COX6C, CBR3, CYCS PKM 1784/4885L3MBTL1 925/4885ALDH1A1 4294/4885
US-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 PKM 1313/4885L3MBTL1 837/4885ALDH1A1 129/4885

“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.