SCHEMBL2587720

SCHEMBL2587720

CS(=O)(=O)c1ccc(S(=O)(=O)CCO[C]=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ENPP2 Q13822 2/20 0.39
LOX P28300 1/20 0.38
MMP13 P45452 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MMP8 P22894 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
DRD1 P21728 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP1 P03956 1/20 0.35
CA2 P00918 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL64436 0.86 ALDH1A1 (0.63) ALDH1A1CYP3A4CYP2C9CYP2C19HTT
SCHEMBL28166558 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19HTT
SCHEMBL619004 0.82 LMNA (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19LOX
SCHEMBL28051 0.81 PSIP1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MMP13
SCHEMBL28932041 0.79 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19LOX
SCHEMBL5664985 0.79 HTR6 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19LOX
SCHEMBL28865930 0.79 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19LOX
SCHEMBL82994 0.78 CA1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MMP13
SCHEMBL453331 0.78 MMP1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8605094 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563847-B1 MCR DENDRIMERS LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2016-04-13 EP disclosed
US-8865863-B2 MCR dendrimers Leibniz-Institut fur Pflandzenbiochemie (DE) 2014-10-21 US disclosed
US-20130203960-A1 MCR DENDRIMERS Leibniz-Institut fur Pflanzenbiochemie (DE) 2013-08-08 US disclosed
EP-2563847-A1 MCR DENDRIMERS Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) 2013-03-06 EP disclosed
WO-2011134607-A1 MCR DENDRIMERS LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (DE) 2011-11-03 WO disclosed
EP-1546186-A4 METHOD FOR SYNTHESIZING PEPTIDES A & PEP INC (KR) 2006-02-08 EP disclosed
EP-1546186-A1 METHOD FOR SYNTHESIZING PEPTIDES A & Pep Inc. (KR) 2005-06-29 EP disclosed
WO-2004018501-A1 METHOD FOR SYNTHESIZING PEPTIDES A & PEP INC. (KR) 2004-03-04 WO disclosed
EP-0637318-B1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
US-5686564-A Peptide derivatives corresponding to the carboxy terminal sequence of hirudin NOVARTIS CORPORATION (US) 1997-11-11 US disclosed
US-5576419-A Mild solid-phase synthesis of aligned branched triple-helical peptides REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-11-19 US disclosed
EP-0693081-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION Novartis AG (CH) 1996-01-24 EP disclosed
EP-0637318-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN Novartis AG (CH) 1995-02-08 EP disclosed
WO-1994024153-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION CIBA-GEIGY AG (CH) 1994-10-27 WO disclosed
WO-1993022344-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA-GEIGY AG (CH) 1993-11-11 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-20130203960-A1 MCR DENDRIMERS MCRS1, APC, GRPR ALDH1A1 4194/4885CYP3A4 1961/4885CYP2C9 2141/4885

“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.