SCHEMBL333923

SCHEMBL333923

O=[C]/C=C/S(=O)(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 3/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
CA9 Q16790 2/20 0.45
FAAH O00519 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
CA5A P35218 1/20 0.45
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL4423649 1.00 CA2 (0.45) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL1120219 0.83 CA1 (0.44) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL1120216 0.83 CA1 (0.44) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL513627 0.74 PPARG (0.47) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL513626 0.74 PPARG (0.47) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL5973925 0.74 PPARG (0.47) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL4632246 0.73 CA2 (0.46) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL4632241 0.73 CA2 (0.46) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL9598177 0.73 CA1 (0.46) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL7119214 0.73 CA2 (0.54) CA2CA1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-7691805-B2 Antimicrobial compounds NEOBIOTICS AB (SE) 2010-04-06 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 US disclosed
US-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance NEOBIOTICS AB (SE) 2006-06-01 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 (4 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-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance ARG1, ARGLU1, VIP CA2 1411/4885CA1 789/4885PRSS1 536/4885
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD CA2 1730/4885CA1 898/4885PRSS1 538/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 CA2 3516/4885CA1 4648/4885PRSS1 1430/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 CA2 2935/4885CA1 3619/4885PRSS1 1571/4885

“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.