SCHEMBL14322682

SCHEMBL14322682

NS(=O)(=O)c1ccccc1SCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.42
CA1 P00915 16/20 0.41
CA9 Q16790 11/20 0.41
CA12 O43570 7/20 0.41
CA14 Q9ULX7 5/20 0.41
CA5A P35218 4/20 0.41
CA6 P23280 3/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CYP2C9 P11712 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL9345418 0.77 CA2 (0.42) CA2CA1CA9CA12CA14
SCHEMBL17079528 0.77 CA2 (0.50) CA2CA1CA9CA12CA14
SCHEMBL7545831 0.77 ALOX15 (0.46) CA2CA1CA9CA12CA14
SCHEMBL30232744 0.77 CA2 (0.50) CA2CA1CA9CA12CA14
SCHEMBL9202368 0.76 CA2 (0.41) CA2CA1CA9CA12CA14
SCHEMBL10567696 0.74 CA1 (0.50) CA2CA1CA9CA12CA14
SCHEMBL1185311 0.74 CA2 (0.68) CA2CA1CA9CA12CA14
SCHEMBL17686260 0.74 MEN1 (0.52) CYP2C9
SCHEMBL9197192 0.73 CA2 (0.39) CA2CA1CA9CA12CA14
SCHEMBL9269411 0.73 CA2 (0.54) CA2CA1CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 CA2 3675/4885CA1 2832/4885CA9 2217/4885

“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.