SCHEMBL3096086

SCHEMBL3096086

CCOC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)c(C)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.53
CHRNA7 P36544 2/20 0.52
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 2/20 0.41
TP53 P04637 1/20 0.40
APAF1 O14727 1/20 0.39
ALOX12 P18054 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3108117 0.89 CHRNA7 (0.55) CA9CHRNA7MAPTGAAKMT2A
SCHEMBL3101600 0.84 CA9 (0.72) CA9CHRNA7CA1CA2CA12
SCHEMBL18865628 0.77 CA9 (0.50) CA9CHRNA7MAPTGAAKMT2A
SCHEMBL1738619 0.77 NOTUM (0.60) CHRNA7MAPTGAAKMT2AALDH1A1
SCHEMBL20788339 0.77 KMT2A (0.50) CA9CHRNA7MAPTGAAKMT2A
SCHEMBL5340205 0.76 CHRNA7 (0.61) CA9CHRNA7MAPTGAAKMT2A
SCHEMBL5676831 0.76 CHRNA7 (0.61) CA9CHRNA7MAPTGAAKMT2A
SCHEMBL18865871 0.76 KMT2A (0.52) CA9CHRNA7MAPTGAAKMT2A
SCHEMBL3299372 0.76 KMT2A (0.68) CA9MAPTGAAKMT2AALDH1A1
SCHEMBL3159012 0.76 KMT2A (0.52) CA9MAPTGAAKMT2AALDH1A1

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 3/4885CHRNA7 3165/4885MAPT 4236/4885

“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.