SCHEMBL13100294

SCHEMBL13100294

Cc1cccc(Cc2nc(CN(CCC#N)C3CC3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.31
EGFR P00533 1/20 0.30
CSF1R P07333 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL13100307 0.97 MAPT (0.32) PTGS2
SCHEMBL3105407 0.92 CA1 (0.35) PTGS2CA12CA1CA2CA4
SCHEMBL13100257 0.89 CA1 (0.34) PTGS2CA12CA1CA2CA4
SCHEMBL13100254 0.89 CA1 (0.34) PTGS2CA12CA1CA2CA4
SCHEMBL13100297 0.89 KMT2A (0.34) PTGS2PTGS1EGFRCSF1RCA12
SCHEMBL13100300 0.87 CA12 (0.34) PTGS2PTGS1EGFRCSF1RCA12
SCHEMBL13100318 0.87 CA12 (0.34) PTGS2PTGS1EGFRCSF1RCA12
SCHEMBL13099611 0.86 PTGS2 (0.33) PTGS2PTGS1EGFRCSF1RCA12
SCHEMBL13100299 0.85 CA12 (0.35) PTGS2EGFRCSF1RCA12CA1
SCHEMBL13099892 0.83 PTGS2 (0.35) PTGS2PTGS1EGFRCSF1RCA12

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 PTGS2 47/4885PTGS1 44/4885EGFR 3434/4885

“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.