SCHEMBL4633629

SCHEMBL4633629

O=[N+]([O-])c1cc(S(=O)O)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.54
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3805821 1.00 VCAM1 (0.54) VCAM1MAPTLMNAMEN1GAA
SCHEMBL2726273 0.98 VCAM1 (0.53) VCAM1MAPTLMNAMEN1GAA
SCHEMBL2726271 0.82 VCAM1 (0.50) VCAM1MAPTTDP1MAPK1ALDH1A1
SCHEMBL11227558 0.79 ALDH1A1 (0.53) MAPTLMNAMEN1GAAKMT2A
SCHEMBL28990036 0.79 TDP1 (0.56) MAPTLMNAMEN1GAAHTT
SCHEMBL6519433 0.79 CASP6 (0.37) VCAM1LMNAMAPK1ALDH1A1HPGD
SCHEMBL19188309 0.78 ALDH1A1 (0.47) VCAM1MAPTLMNATDP1MAPK1
SCHEMBL6513974 0.77 CASP6 (0.36) VCAM1LMNAMAPK1ALDH1A1HPGD
SCHEMBL6513978 0.77 CASP6 (0.36) VCAM1LMNAMAPK1ALDH1A1HPGD
SCHEMBL6519958 0.77 CASP6 (0.36) VCAM1LMNAMAPK1ALDH1A1HPGD

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-20080171849-A1 Deprotecting peptide from allyl-type protecting groups by palladium catalysis in presence of allyl acceptor; lactamization; solid phase synthesis LONZA AG (CH) 2008-07-17 US disclosed
EP-1794180-B1 PEPTIDE CYCLISATION LONZA AG (CH) 2008-06-04 EP disclosed
EP-1794180-A1 PEPTIDE CYCLISATION LONZA AG (CH) 2007-06-13 EP disclosed
WO-2006032457-A9 PEPTIDE CYCLISATION LONZA AG (CH) 2006-05-26 WO disclosed
WO-2006032457-A1 PEPTIDE CYCLISATION LONZA AG (CH) 2006-03-30 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-20080171849-A1 Deprotecting peptide from allyl-type protecting groups by palladium catalysis in presence of allyl acceptor; lactamization; solid phase synthesis PEPD, VIP, DNPEP VCAM1 2956/4885MAPT 4539/4885LMNA 3806/4885

“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.