SCHEMBL7110849

SCHEMBL7110849

C/C=C/C(=O)OCC1(CC)COC(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8167873 1.00 GSTP1 (0.37) GSTP1L3MBTL1
SCHEMBL7538126 0.69 TSHR (0.41) GSTP1
SCHEMBL18015859 0.69 IRAK4 (0.39)
SCHEMBL7111765 0.68 GSTP1 (0.33) GSTP1
SCHEMBL7108365 0.68 GSTP1 (0.33) GSTP1
SCHEMBL7111776 0.68 GSTP1 (0.33) GSTP1
SCHEMBL7108359 0.68 GSTP1 (0.33) GSTP1
SCHEMBL7190840 0.68 GSTP1 (0.37) GSTP1
SCHEMBL7190847 0.68 GSTP1 (0.37) GSTP1
SCHEMBL18009422 0.68 IRAK4 (0.36)

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-20030064051-A1 Surface active N-halamine compounds AUBURN UNIVERSITY 2003-04-03 US disclosed
US-20030044376-A1 Surface active N-halamine compounds AUBURN UNIVERSITY 2003-03-06 US disclosed
US-6469177-B1 CYCLIC N-HALAMINES THAT ARE BIOCIDAL WHEN THEY COME IN CONTACT WITH HALOGEN-SENSITIVE ORGANISMS; ACHIEVED BY COATING THE N-HALAMINE ON A SUBSTRATE AUBURN UNIVERSITY 2002-10-22 US disclosed
US-6162452-A Surface active N-halamine compounds AUBURN UNIVERSITY (US) 2000-12-19 US disclosed
WO-1999029678-A1 MONOMERIC AND POLYMERIC SURFACE ACTIVE BIOCIDAL N-HALO-OXAZOLIDINONES AUBURN UNIVERSITY (US) 1999-06-17 WO disclosed
US-5902818-A N-HALOGENATED, OXAZOLIDINONE MONOMERS HAVING AN ACRYLIC ESTER GROUP AT THE 4-POSITION RELEASE SMALL AMOUNTS FREE HALOGENS; DISINFECTANTS SUCH AS MEDICAL AND DENTAL COATINGS, FABRICS; COST EFFICIENCY, PERFORMANCE AUBURN UNIVERSITY (US) 1999-05-11 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 (2 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-20030044376-A1 Surface active N-halamine compounds AAAS, HNMT, LTN1 GSTP1 1403/4885L3MBTL1 226/4885
US-20030064051-A1 Surface active N-halamine compounds AAAS, HNMT, LTN1 GSTP1 1403/4885L3MBTL1 226/4885

“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.