SCHEMBL3104436

SCHEMBL3104436

CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 15/20 0.54
CA1 P00915 7/20 0.54
CA2 P00918 7/20 0.54
CA4 P22748 6/20 0.54
CHRNA7 P36544 2/20 0.53
CA12 O43570 6/20 0.49
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
GRIA2 P42262 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
SCHEMBL3106872 0.85 CA9 (0.51) CA9CA1CA2CA4CHRNA7
SCHEMBL4154814 0.84 CA9 (0.54) CA9CA1CA2CA4CHRNA7
SCHEMBL10479405 0.84 ALDH1A1 (0.57) CA9CA1CA2CA4CHRNA7
SCHEMBL10479557 0.84 KMT2A (0.54) CA9CA1CA2CA4CHRNA7
SCHEMBL10479420 0.84 SLC5A1 (0.48) CA9CA1CA2CA4CYP1A2
SCHEMBL10479490 0.83 ALDH1A1 (0.58) CA1CA2PTGS2
SCHEMBL10479849 0.83 CCNA2 (0.58) PTGS2
SCHEMBL10479640 0.82 MAPT (0.60) CA9
SCHEMBL10479625 0.81 KMT2A (0.54) CA9CA1CA2CA4CHRNA7
SCHEMBL10479545 0.81 ALDH1A1 (0.57) CA9CA1CA2CA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 CA9 3/4885CA1 7/4885CA2 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.