SCHEMBL23093464

SCHEMBL23093464

CS(=O)(=O)c1ccc(-c2cnc(C(F)(F)F)c(Cl)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.55
▸ PTGS2 P35354 14/20 0.49
▸ PTGS1 P23219 6/20 0.45
▸ MAP4K4 O95819 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MINK1 Q8N4C8 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL29802559 1.00 KCNH2 (0.55) KCNH2PTGS2PTGS1MAP4K4PIK3CA
SCHEMBL23093455 0.80 KCNH2 (0.47) KCNH2PTGS2PTGS1
SCHEMBL23110694 0.77 SYK (0.35) KCNH2PTGS2PTGS1
SCHEMBL23093302 0.75 ATR (0.44) KCNH2PTGS2
SCHEMBL28178962 0.74 KCNH2 (0.68) KCNH2PTGS2PTGS1MAP4K4PIK3CA
SCHEMBL28178965 0.72 PTGS2 (0.56) KCNH2PTGS2PTGS1
SCHEMBL15306535 0.71 KCNH2 (0.48) KCNH2PTGS2PTGS1
SCHEMBL3489890 0.71 NR1H2 (0.53) KCNH2PTGS2PTGS1
SCHEMBL15201323 0.71 KCNH2 (0.78) KCNH2PTGS2MAP4K4PIK3CAMINK1
SCHEMBL15201275 0.71 KCNH2 (1.00) KCNH2PTGS2MAP4K4PIK3CAMINK1

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-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
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 KCNH2 3964/4885PTGS2 2/4885PTGS1 4/4885

“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.

Send feedback