SCHEMBL2547722

SCHEMBL2547722

C=CC(CCCCC)S(=O)(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
FDPS P14324 4/20 0.32
MAPT P10636 2/20 0.32
TRPA1 O75762 1/20 0.32
DDAH1 O94760 1/20 0.32
GAPDH P04406 1/20 0.32
OPRM1 P35372 1/20 0.32
TSHR P16473 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
CA1 P00915 2/20 0.31
FFAR1 O14842 1/20 0.31
LAP3 P28838 1/20 0.31
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31

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
SCHEMBL2539872 0.83 TP53 (0.41) TP53ADH1BADH1CADH1AADH4
SCHEMBL599852 0.82 TP53 (0.39) TP53ADH1BADH1CADH1AADH4
SCHEMBL2454623 0.80 TP53 (0.47) TP53ADH1BADH1CADH1AADH4
SCHEMBL859860 0.80 TP53 (0.42) TP53OPRM1CA1LAP3
SCHEMBL1343885 0.80 TP53 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL27471627 0.80 TP53 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL2715230 0.79 TP53 (0.41) TP53ADH1BADH1CADH1AADH4
SCHEMBL11881434 0.78 NR1I2 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL27872723 0.78 TP53 (0.37) TP53ADH1BADH1CADH1AADH4
SCHEMBL27553098 0.78 TP53 (0.37) TP53ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415732-A Aryl/alkyl vinyl sulfone hyaluronic acid derivatives NOVOZYMES BIOPOLYMER AS (DK) 2009-04-22 CN claimed
US-8071757-B2 Aryl/alkyl vinyl sulfone hyaluronic acid derivatives NOVOZYMES BIOPHARMA DK A/S (DK) 2011-12-06 US disclosed
US-20110257123-A1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES NOVOZYMES BIOPOLYMER A/S (NL) 2011-10-20 US disclosed
US-20110257123-A1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES NOVOZYMES BIOPOLYMER A/S (NL) 2011-10-20 US disclosed
CN-101415732-B Aryl/alkyl vinyl sulfone hyaluronic acid derivatives NOVOZYMES BIOPOLYMER AS 2011-10-12 CN disclosed
CN-101415732-B Aryl/alkyl vinyl sulfone hyaluronic acid derivatives NOVOZYMES BIOPOLYMER AS 2011-10-12 CN disclosed
EP-1994062-B1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES NOVOZYMES BIOPOLYMER AS (DK) 2009-07-15 EP disclosed
EP-1994062-B1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES NOVOZYMES BIOPOLYMER AS (DK) 2009-07-15 EP disclosed
CN-101415732-A Aryl/alkyl vinyl sulfone hyaluronic acid derivatives NOVOZYMES BIOPOLYMER AS (DK) 2009-04-22 CN disclosed
CN-101415732-A Aryl/alkyl vinyl sulfone hyaluronic acid derivatives NOVOZYMES BIOPOLYMER AS (DK) 2009-04-22 CN disclosed
EP-1994062-A1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES Novozymes Biopolymer A/S (DK) 2008-11-26 EP disclosed
EP-1994062-A1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES Novozymes Biopolymer A/S (DK) 2008-11-26 EP disclosed
WO-2007098770-A1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES NOVOZYMES BIOPOLYMER A/S (DK) 2007-09-07 WO disclosed
WO-2007098770-A1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES NOVOZYMES BIOPOLYMER A/S (DK) 2007-09-07 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 (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-20110257123-A1 ARYL/ALKYL VINYL SULFONE HYALURONIC ACID DERIVATIVES CD44, ARSA, HPSE TP53 1088/4885ADH1B 554/4885ADH1C 1012/4885

“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.