SCHEMBL13100300

SCHEMBL13100300

CCCN(CCC#N)Cc1nc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.34
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA4 P22748 6/20 0.34
PTGS2 P35354 3/20 0.32
EGFR P00533 1/20 0.32
CSF1R P07333 1/20 0.32
PTGS1 P23219 1/20 0.30

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
SCHEMBL13100299 0.96 CA12 (0.35) CA12CA1CA2CA4PTGS2
SCHEMBL13100318 0.95 CA12 (0.34) CA12CA1CA2CA4PTGS2
SCHEMBL13100359 0.92 CA1 (0.39) CA12CA1CA2CA4PTGS2
SCHEMBL13100297 0.91 KMT2A (0.34) CA12CA1CA2CA4PTGS2
SCHEMBL13099735 0.91 CYP1A2 (0.35) CA1CA2PTGS2EGFRCSF1R
SCHEMBL13099757 0.89 PTGS2 (0.35) CA1CA2PTGS2EGFRCSF1R
SCHEMBL13100370 0.89 CA1 (0.41) CA12CA1CA2CA4PTGS2
SCHEMBL13100358 0.88 CA1 (0.38) CA12CA1CA2CA4PTGS2
SCHEMBL13100282 0.88 CA1 (0.40) CA12CA1CA2CA4PTGS2
SCHEMBL13100361 0.87 CA1 (0.39) CA12CA1CA2CA4PTGS2

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 2 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

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 CA12 8/4885CA1 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.