SCHEMBL3096174

SCHEMBL3096174

Cc1cccc(Cc2nc(CCl)nn2-c2ccc(S(N)(=O)=O)cc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.38
CA1 P00915 10/20 0.36
CA2 P00918 10/20 0.36
CA7 P43166 3/20 0.36
HTT P42858 1/20 0.36
PTGS1 P23219 2/20 0.36
CA9 Q16790 5/20 0.35
HTR6 P50406 1/20 0.35
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
CA12 O43570 4/20 0.34
EGFR P00533 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL3110773 0.90 PTGS2 (0.38) PTGS2CA1CA2CA7HTT
SCHEMBL14292299 0.90 PTGS2 (0.38) PTGS2CA1CA2CA7HTT
SCHEMBL3110194 0.89 CA1 (0.42) PTGS2CA1CA2CA7CA9
SCHEMBL3102236 0.88 PTGS2 (0.40) PTGS2CA1CA2CA7HTT
SCHEMBL3114924 0.86 EGFR (0.36) PTGS2CA1CA2CA7HTT
SCHEMBL3106179 0.86 EGFR (0.36) PTGS2CA1CA2CA7HTT
SCHEMBL3104570 0.86 CA2 (0.38) PTGS2CA1CA2CA7PTGS1
SCHEMBL13099730 0.85 ALDH1A1 (0.35) PTGS2CA1CA2HTTCA9
SCHEMBL3118069 0.85 EGFR (0.35) PTGS2CA1CA2CA7HTT
SCHEMBL3117485 0.85 PTGS2 (0.34) PTGS2CA1CA2CA7HTT

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 4 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
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO 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 47/4885CA1 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.