SCHEMBL3106885

SCHEMBL3106885

CCCCNCc1nc(Cc2ccccc2)nn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
CA2 P00918 13/20 0.44
CA1 P00915 12/20 0.44
CA9 Q16790 6/20 0.44
CA4 P22748 5/20 0.42
CA12 O43570 4/20 0.42
PDPK1 O15530 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
EPHX2 P34913 3/20 0.40
CA7 P43166 3/20 0.40
PTGS1 P23219 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
SCHEMBL3106233 0.89 PTGS2 (0.47) PTGS2CA2CA1CA9CA4
SCHEMBL3106373 0.88 PTGS2 (0.48) PTGS2CA2CA1CA9CA4
SCHEMBL14291994 0.86 PTGS2 (0.42) PTGS2CA2CA1CA9CA4
SCHEMBL13099971 0.85 PTGS2 (0.48) PTGS2CA2CA1CA9CA4
SCHEMBL3105400 0.84 PTGS2 (0.45) PTGS2CA2CA1CA9CA4
SCHEMBL13099967 0.84 PTGS2 (0.51) PTGS2CA2CA1CA9CA4
SCHEMBL3109431 0.84 PTGS2 (0.55) PTGS2CA2CA1CA9CA4
SCHEMBL3118336 0.84 NAMPT (0.46) PTGS2CA2CA1CA4CA7
SCHEMBL3108246 0.83 PTGS2 (0.45) PTGS2CA2CA1CA9CA4
SCHEMBL3237230 0.83 CA2 (0.55) PTGS2CA2CA1CA9CA4

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 4 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
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO 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 47/4885CA2 1/4885CA1 7/4885

“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.