SCHEMBL3418907

SCHEMBL3418907

O=S1(=O)CCC2CCCN21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 1/20 0.32
PDE7A Q13946 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
SCHEMBL3387753 1.00 SMN1; SMN2 (0.32) SMN1; SMN2LTA4HPDE7A
SCHEMBL19863554 0.93 PDE7A (0.33) SMN1; SMN2LTA4HPDE7A
SCHEMBL21222568 0.76 LTA4H (0.34) LTA4HPDE7A
SCHEMBL13377825 0.76 ALDH1A1 (0.35) LTA4HPDE7A
SCHEMBL718126 0.76 LTA4H (0.34) LTA4HPDE7A
SCHEMBL13722593 0.76 LTA4H (0.34) LTA4HPDE7A
SCHEMBL13377829 0.74 PDE7A (0.32) LTA4HPDE7A
SCHEMBL15262631 0.74
SCHEMBL13331607 0.73 LTA4H (0.33) LTA4HPDE7A
SCHEMBL20323810 0.72 LTA4H (0.34) LTA4HPDE7A

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
EP-1933835-B1 TETRAHYDRO-PYRROLO[1,2-B]ISOTHIAZOLE 1,1-DIOXIDES AS LFA-1 INHIBITORS NOVARTIS AG (CH) 2010-12-08 EP disclosed
CN-101282724-A Pharmaceutically active tetrahydro-pyrrolo [1, 2-B ] isothiazole 1, 1-dioxides NOVARTIS AG (CH) 2008-10-08 CN disclosed
US-20080242710-A1 Pharmaceutically Active Tetrahydro-Pyrrolo[1,2-B]Isothiazole 1,1-Dioxides BAUMANN KARL 2008-10-02 US disclosed
EP-1933835-A1 PHARMACEUTICALLY ACTIVE TETRAHYDRO-PYRROLO[1,2-B]ISOTHIAZOLE 1,1-DIOXIDES Novartis AG (CH) 2008-06-25 EP disclosed
WO-2007039616-A1 PHARMACEUTICALLY ACTIVE TETRAHYDRO-PYRROLO[1,2-B]ISOTHIAZOLE 1,1-DIOXIDES NOVARTIS AG (CH) 2007-04-12 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-20080242710-A1 Pharmaceutically Active Tetrahydro-Pyrrolo[1,2-B]Isothiazole 1,1-Dioxides ICAM1, VCAM1, SELPLG SMN1; SMN2 1445/4885LTA4H 1056/4885PDE7A 2866/4885

“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.