SCHEMBL13099985

SCHEMBL13099985

Cc1cccc(Cc2nc(CN(C)CCCF)nn2-c2ccc(S(N)(=O)=O)cc2F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
CSF1R P07333 1/20 0.34
PTGS2 P35354 4/20 0.33
HTR6 P50406 1/20 0.33
PTGS1 P23219 2/20 0.32
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 1/20 0.31
CA7 P43166 2/20 0.30
HTT P42858 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL3118069 0.92 EGFR (0.35) EGFRCSF1RPTGS2HTR6PTGS1
SCHEMBL13100323 0.91 PTGS2 (0.35) EGFRCSF1RPTGS2HTR6PTGS1
SCHEMBL13099916 0.91 EGFR (0.35) EGFRCSF1RPTGS2HTR6PTGS1
SCHEMBL3106179 0.90 EGFR (0.36) EGFRCSF1RPTGS2HTR6PTGS1
SCHEMBL3107635 0.89 PTGS2 (0.36) EGFRCSF1RPTGS2HTR6PTGS1
SCHEMBL13032980 0.89 PTGS2 (0.36) EGFRCSF1RPTGS2HTR6PTGS1
SCHEMBL13100297 0.89 KMT2A (0.34) EGFRCSF1RPTGS2HTR6PTGS1
SCHEMBL13099759 0.88 PTGS2 (0.37) EGFRCSF1RPTGS2HTR6PTGS1
SCHEMBL13099707 0.87 CA1 (0.37) EGFRCSF1RPTGS2PTGS1CA1
SCHEMBL13100308 0.87 PTGS2 (0.35) EGFRCSF1RPTGS2HTR6PTGS1

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 EGFR 3434/4885CSF1R 4621/4885PTGS2 47/4885

“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.