SCHEMBL3107727

SCHEMBL3107727

Cc1cc(C(=O)NCCOCCN)nn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.50
PTGS1 P23219 3/20 0.50
EPHX2 P34913 2/20 0.50
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
CA2 P00918 2/20 0.47
CA9 Q16790 3/20 0.44

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
SCHEMBL3109266 0.82 PTGS2 (0.52) PTGS2PTGS1EPHX2HDAC3HDAC1
SCHEMBL3098478 0.79 CHRNA7 (0.51) PTGS2PTGS1EPHX2HDAC3HDAC1
SCHEMBL3102280 0.78 PTGS2 (0.63) PTGS2PTGS1EPHX2CA2CA9
SCHEMBL3117397 0.75 PTGS2 (0.58) PTGS2PTGS1CA2CA9
SCHEMBL3101600 0.74 CA9 (0.72) PTGS2CA2CA9
SCHEMBL30583143 0.74 CA2 (0.81) CA2CA9
SCHEMBL17369596 0.73 HDAC3 (0.79) PTGS2PTGS1EPHX2HDAC3HDAC1
SCHEMBL17369592 0.73 HDAC3 (0.80) PTGS2PTGS1EPHX2HDAC3HDAC1
SCHEMBL17369598 0.73 HDAC3 (0.80) PTGS2PTGS1EPHX2HDAC3HDAC1
SCHEMBL3104796 0.72 CHRNA7 (0.51) PTGS2PTGS1CA2CA9

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 PTGS2 47/4885PTGS1 44/4885EPHX2 951/4885

“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.