SCHEMBL23093455

SCHEMBL23093455

Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.47
▸ ATR Q13535 12/20 0.46
▸ PTGS2 P35354 6/20 0.44
▸ PTGS1 P23219 3/20 0.44
▸ PRKDC P78527 5/20 0.43
▸ ATM Q13315 4/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43

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
SCHEMBL23093302 0.80 ATR (0.44) KCNH2ATRPTGS2PRKDCATM
SCHEMBL29802559 0.80 KCNH2 (0.55) KCNH2PTGS2PTGS1
SCHEMBL23093464 0.80 KCNH2 (0.55) KCNH2PTGS2PTGS1
SCHEMBL15306535 0.79 KCNH2 (0.48) KCNH2ATRPTGS2PTGS1PRKDC
SCHEMBL15308507 0.78 KCNH2 (0.60) KCNH2ATRPRKDCATM
SCHEMBL23093261 0.75 PTGS2 (0.47) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL3094683 0.74 CDK5 (0.52) KCNH2ATRPTGS2PTGS1PRKDC
SCHEMBL7209645 0.72 PTGS2 (0.71) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL9420134 0.71 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL3754393 0.71 PTGS2 (0.46) PTGS2PTGS1

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 KCNH2 3964/4885ATR 4804/4885PTGS2 2/4885

“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.

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