SCHEMBL23093041

SCHEMBL23093041

CS(=O)(=O)c1ccc(-n2ccc3ccc(C(O)c4cccs4)nc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.42
JAK2 O60674 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
GCK P35557 1/20 0.34
AURKA O14965 1/20 0.33
CDK4 P11802 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
SCHEMBL23093167 1.00 PTGS2 (0.42) PTGS2JAK2HDAC6GCKAURKA
SCHEMBL23093039 1.00 PTGS2 (0.42) PTGS2JAK2HDAC6GCKAURKA
SCHEMBL23093187 0.75 PTGS2 (0.45) PTGS2JAK2HDAC6
SCHEMBL29802485 0.71 PTGS2 (0.42) PTGS2JAK2HDAC6
SCHEMBL23093152 0.71 PTGS2 (0.42) PTGS2JAK2HDAC6
SCHEMBL5738793 0.67 PTGS2 (0.49) PTGS2HDAC6
SCHEMBL3401229 0.64 JAK2 (0.45) PTGS2JAK2HDAC6AURKACDK4
SCHEMBL1657463 0.61 JAK2 (0.65) PTGS2JAK2HDAC6AURKACDK4
SCHEMBL3247760 0.59 PTGS2 (1.00) PTGS2
SCHEMBL1384962 0.59 TSHR (0.57)

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-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BOARD INSTITUTE, INC. (US) 2022-11-03 US disclosed
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 EP disclosed
WO-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 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-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF PTGES2, PTGS2, PTGES PTGS2 2/4885JAK2 608/4885HDAC6 3230/4885

“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.