SCHEMBL3104484

SCHEMBL3104484

COCCN(CCOC)Cc1nc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
EGFR P00533 1/20 0.33
CSF1R P07333 1/20 0.33
CA2 P00918 8/20 0.32
CA1 P00915 5/20 0.32
PTGS1 P23219 1/20 0.32
CA9 Q16790 1/20 0.31
HTR6 P50406 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL13099757 0.97 PTGS2 (0.35) PTGS2EGFRCSF1RCA2CA1
SCHEMBL13032980 0.93 PTGS2 (0.36) PTGS2EGFRCSF1RCA2CA1
SCHEMBL13100379 0.92 PTGS2 (0.39) PTGS2CA2CA1CA9
SCHEMBL13099762 0.91 PTGS2 (0.35) PTGS2EGFRCSF1RCA2CA1
SCHEMBL3118042 0.90 CA2 (0.36) PTGS2EGFRCSF1RCA2CA1
SCHEMBL13100323 0.90 PTGS2 (0.35) PTGS2EGFRCSF1RPTGS1HTR6
SCHEMBL13100388 0.89 PTGS2 (0.37) PTGS2CA2CA1CA9
SCHEMBL13099735 0.87 CYP1A2 (0.35) PTGS2EGFRCSF1RCA2CA1
SCHEMBL13100300 0.86 CA12 (0.34) PTGS2EGFRCSF1RCA2CA1
SCHEMBL3118069 0.85 EGFR (0.35) PTGS2EGFRCSF1RCA2CA1

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

“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.