SCHEMBL3103035

SCHEMBL3103035

NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cccnc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.80
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
CHRNA7 P36544 1/20 0.59
PTGS1 P23219 1/20 0.58
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL16640309 0.86 PTGS2 (0.65) PTGS2MEN1MAPTKMT2A
SCHEMBL28294494 0.85 PTGS2 (1.00) PTGS2CHRNA7PTGS1MEN1MAPT
SCHEMBL28292893 0.85 PTGS2 (1.00) PTGS2CHRNA7PTGS1MEN1MAPT
SCHEMBL28292993 0.83 PTGS2 (1.00) PTGS2CHRNA7MEN1MAPTKMT2A
SCHEMBL28872997 0.83 PTGS2 (1.00) PTGS2CHRNA7PTGS1MEN1MAPT
SCHEMBL28292886 0.83 PTGS2 (1.00) PTGS2CHRNA7MEN1MAPTKMT2A
SCHEMBL28292890 0.83 PTGS2 (1.00) PTGS2CHRNA7MEN1MAPTKMT2A
SCHEMBL28872794 0.83 PTGS2 (1.00) PTGS2CA1CA2CA9PTGS1
SCHEMBL28294500 0.81 PTGS2 (1.00) PTGS2CHRNA7PTGS1MEN1MAPT
SCHEMBL28292903 0.81 PTGS2 (1.00) PTGS2CHRNA7

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 47/4885CA1 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.