SCHEMBL11935941

SCHEMBL11935941

Nc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 19/20 0.77
CA2 P00918 19/20 0.77
CA12 O43570 17/20 0.77
CA4 P22748 13/20 0.77
CA9 Q16790 13/20 0.77
CA6 P23280 2/20 0.68
CA5A P35218 2/20 0.68
CA7 P43166 2/20 0.68
CA5B Q9Y2D0 2/20 0.68
CA14 Q9ULX7 1/20 0.68

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
SCHEMBL15094416 0.86 CA1 (0.75) CA1CA2CA12CA4CA9
SCHEMBL16682342 0.84 GAA (0.59) CA1CA2CA12CA4CA9
SCHEMBL6273619 0.83 CA1 (0.60) CA1CA2CA12CA4CA9
Hydrochloric Acid SCHEMBL6270652 0.82 CA1 (0.59) CA1CA2CA12CA4CA9
SCHEMBL13030968 0.81 CA1 (1.00) CA1CA2CA12CA4CA9
SCHEMBL579379 0.80 CA1 (0.84) CA1CA2CA12CA4CA9
SCHEMBL23202943 0.78 CA1 (1.00) CA1CA2CA12CA4CA9
SCHEMBL16129968 0.78 CA2 (0.70) CA1CA2CA12CA4CA9
SCHEMBL13123502 0.78 CA1 (0.70) CA1CA2CA12CA4CA9
SCHEMBL13716534 0.78 CA2 (0.70) CA1CA2CA12CA4CA9

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R CA1 2981/4885CA2 1202/4885CA12 3342/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CA1 2434/4885CA2 1168/4885CA12 2605/4885

“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.