SCHEMBL3757905

SCHEMBL3757905

[CH2]c1ccc(S(C)(=O)=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
KIF11 P52732 1/20 0.42
G6PD P11413 1/20 0.40
IDE P14735 1/20 0.40
ENPP2 Q13822 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL646030 0.80 PTGS2 (0.56) PTGS2KIF11
SCHEMBL30041432 0.80 PTGS2 (0.56) PTGS2KIF11
SCHEMBL2642850 0.77 PTGS2 (0.47) PTGS2KIF11G6PDIDEENPP2
SCHEMBL3757908 0.77 PTGS2 (0.54) PTGS2KIF11
SCHEMBL5117200 0.77 SMN1; SMN2 (0.55) G6PDIDEENPP2SMN1; SMN2
SCHEMBL3752334 0.75 LMNA (0.50) PTGS2G6PDIDEENPP2SMN1; SMN2
SCHEMBL25405364 0.75 KIF11 (0.46) PTGS2KIF11G6PDIDEENPP2
SCHEMBL221279 0.75 CA1 (0.68) PTGS2KIF11G6PDIDECA12
SCHEMBL12469250 0.75 PTGS2 (0.57) PTGS2
SCHEMBL355740 0.75 ENPP2 (0.50) PTGS2KIF11ENPP2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 PTGS2 3155/4885KIF11 4536/4885G6PD 651/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PTGS2 1379/4885KIF11 4182/4885G6PD 301/4885

“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.