SCHEMBL3084510

SCHEMBL3084510

CC(C)(C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
KCNJ1 P48048 2/20 0.45
KCNH2 Q12809 2/20 0.45
CA12 O43570 2/20 0.45
CA4 P22748 2/20 0.45
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL7464920 0.84 MAPT (0.48) TSHRCA1CA2CA12CA4
SCHEMBL3224219 0.83 CA1 (0.54) TSHRCA1CA2KCNJ1KCNH2
Water SCHEMBL9800341 0.81 CA1 (0.53) TSHRCA1CA2KCNJ1KCNH2
SCHEMBL3082582 0.78 RECQL (0.53) CA1CA2CA12CA4CA6
SCHEMBL6606484 0.78 PTGES2 (0.43) CA1CA2CA12CA4CA6
SCHEMBL9259965 0.77 TSHR (0.56) TSHRCA1CA2KCNJ1KCNH2
SCHEMBL5012329 0.77 IDO1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL28531315 0.77 TSHR (0.60) TSHRCA1CA2KCNJ1KCNH2
SCHEMBL9969587 0.74 TSHR (0.53) TSHRCA1CA2KCNJ1KCNH2
SCHEMBL24541236 0.74 TSHR (0.53) TSHRCA1CA2KCNJ1KCNH2

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-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
CN-101466686-A C-FMS kinase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 CN disclosed
EP-2016057-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 EP disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 WO disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 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 (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-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER TSHR 904/4885CA1 3066/4885CA2 710/4885

“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.