SCHEMBL3109151

SCHEMBL3109151

CCCCN(C)Cc1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.43
CA2 P00918 11/20 0.43
PDPK1 O15530 3/20 0.41
PTGS2 P35354 3/20 0.38
CA12 O43570 9/20 0.38
CA9 Q16790 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CA4 P22748 3/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C18 P33260 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL3105386 0.90 CA1 (0.44) CA1CA2PDPK1PTGS2CA12
SCHEMBL3098368 0.90 CA1 (0.44) CA1CA2PDPK1PTGS2CA12
SCHEMBL3106688 0.90 CA1 (0.46) CA1CA2PDPK1PTGS2CA12
SCHEMBL13100238 0.89 PDPK1 (0.43) CA1CA2PDPK1PTGS2CA12
SCHEMBL13100236 0.89 CA1 (0.44) CA1CA2PDPK1PTGS2CA12
SCHEMBL3107267 0.89 PDPK1 (0.37) CA1CA2PDPK1PTGS2CA12
SCHEMBL13100240 0.87 CA1 (0.45) CA1CA2PDPK1PTGS2CA12
SCHEMBL13100244 0.85 CA1 (0.40) CA1CA2PDPK1PTGS2CA12
SCHEMBL3118388 0.85 CA1 (0.36) CA1CA2PDPK1PTGS2CA12
SCHEMBL13100227 0.84 CYP2D6 (0.41) CA1CA2PDPK1CA9CYP2C9

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 CA1 7/4885CA2 1/4885PDPK1 2124/4885

“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.