SCHEMBL23093302

SCHEMBL23093302

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 14/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ PRKDC P78527 5/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ ATM Q13315 4/20 0.40

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
SCHEMBL24327862 0.81 NPC1 (0.49) ATR
SCHEMBL23093455 0.80 KCNH2 (0.47) ATRKCNH2PRKDCPTGS2ATM
SCHEMBL22230283 0.78 BCHE (0.46) ATRPRKDCATM
SCHEMBL31087167 0.77 L3MBTL1 (0.50) ATR
SCHEMBL7837342 0.77 L3MBTL1 (0.50) ATR
SCHEMBL23110900 0.77 KDM4E (0.40) PTGS2
SCHEMBL29802559 0.75 KCNH2 (0.55) KCNH2PTGS2
SCHEMBL23093464 0.75 KCNH2 (0.55) KCNH2PTGS2
SCHEMBL14775354 0.70 SGK1 (0.61) —
SCHEMBL3094683 0.70 CDK5 (0.52) ATRKCNH2PRKDCPTGS2ATM

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 ATR 4804/4885KCNH2 3964/4885PRKDC 3094/4885

“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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