SCHEMBL5893459

SCHEMBL5893459

CS(=O)(=O)c1ccc(-c2ccc(CO)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.72
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
ENPP2 Q13822 2/20 0.50
ADAMTS4 O75173 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL96651 0.94 PTGS2 (0.68) PTGS2CA12CA1CA2CA4
SCHEMBL8485289 0.89 PTGS2 (0.70) PTGS2
SCHEMBL8655486 0.84 PTGS2 (1.00) PTGS2
SCHEMBL8974092 0.84 PTGS2 (0.63) PTGS2CA12CA1CA2CA4
SCHEMBL2025954 0.82 FYN (0.57) PTGS2CA12CA2CA9ADAMTS4
SCHEMBL5399297 0.82 PTGES2 (0.53) PTGS2ADAMTS4
SCHEMBL10300269 0.82 PTGS2 (0.62) PTGS2CA12CA2CA9ENPP2
SCHEMBL7677302 0.82 PTGS2 (0.62) PTGS2CA12CA2CA9ENPP2
SCHEMBL13634219 0.81 UCHL1 (0.59) PTGS2CA2ENPP2PTGDR2
SCHEMBL11296178 0.81 CA1 (0.57) PTGS2CA12CA1CA2CA4

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-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 US disclosed
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 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-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A PTGS2 4347/4885CA12 4677/4885CA1 4373/4885

“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.