SCHEMBL14716778

SCHEMBL14716778

NC(=O)N(c1ccc(OCc2ccccc2)cc1)c1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.64
CA1 P00915 4/20 0.64
CA9 Q16790 4/20 0.64
CA12 O43570 3/20 0.64
PARP10 Q53GL7 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
STS P08842 2/20 0.51
ALDH1A1 P00352 1/20 0.49
ALOX5 P09917 2/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
NOX1 Q9Y5S8 2/20 0.46
PPARG P37231 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL14239343 0.91 CA1 (0.54) CA2CA1CA9CA12PARP10
SCHEMBL2237810 0.86 STS (0.57) CA2CA1CA9CA12STS
SCHEMBL2234949 0.82 CA2 (0.68) CA2CA1CA9CA12PARP10
SCHEMBL2237037 0.82 CA2 (0.68) CA2CA1CA9CA12STS
SCHEMBL2236307 0.78 CA2 (0.49) CA2CA1CA9CA12STS
SCHEMBL2240045 0.77 STS (0.58) CA2CA1CA9CA12STS
SCHEMBL14717579 0.77 STS (0.43) CA2CA1CA9CA12STS
SCHEMBL2239304 0.76 CA2 (0.66) CA2CA1CA9CA12STS
SCHEMBL2236615 0.76 CA2 (0.66) CA2CA1CA9CA12STS
SCHEMBL2237247 0.76 CA2 (0.65) CA2CA1CA9CA12STS

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-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITETET I OSLO (NO) 2013-02-28 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-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS CA9, CA2, CA4 CA2 2/4885CA1 5/4885CA9 1/4885

“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.