SCHEMBL22374794

SCHEMBL22374794

NS(=O)(=O)c1ccc(OC(F)(F)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 12/20 0.57
▸ CA1 P00915 11/20 0.57
▸ CA12 O43570 10/20 0.57
▸ CA9 Q16790 9/20 0.57
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SOS1 Q07889 4/20 0.49
▸ CA7 P43166 4/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA5B Q9Y2D0 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ CA4 P22748 1/20 0.45
▸ KIF11 P52732 1/20 0.43

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
SCHEMBL23519059 0.83 PTGS2 (0.47) CA2CA1CA12CA9PTGS2
SCHEMBL23519069 0.81 HSD11B1 (0.47) CA2CA1CA12CA9ALDH1A1
SCHEMBL23519076 0.80 ELANE (0.54) CA2CA1CA12CA9ALDH1A1
SCHEMBL23519068 0.80 CA12 (0.39) CA2CA1CA12CA9HTT
SCHEMBL1137645 0.80 PTGS2 (0.65) CA2CA1CA12CA9ALDH1A1
SCHEMBL9496011 0.78 PTGS2 (0.63) CA2CA1CA12CA9ALDH1A1
Ammonia Solution, Strong SCHEMBL29087279 0.78 PTGS2 (0.63) CA2CA1CA12CA9ALDH1A1
Hydrochloric Acid SCHEMBL29087408 0.78 PTGS2 (0.63) CA2CA1CA12CA9ALDH1A1
SCHEMBL30596352 0.78 PTGS2 (0.63) CA2CA1CA12CA9ALDH1A1
SCHEMBL23519065 0.77 EPHX2 (0.55) —

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 CA2 2737/4885CA1 3292/4885CA12 4153/4885

“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.

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