SCHEMBL29808151

SCHEMBL29808151

Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)n2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 11/20 0.42
P2RX2 Q9UBL9 11/20 0.42
WDR5 P61964 2/20 0.41
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL22588442 1.00 P2RX3 (0.42) P2RX3P2RX2WDR5MAPK1HSD17B10
SCHEMBL24620549 0.91 GRM4 (0.44) WDR5GRIN1GRIN2A
SCHEMBL29808543 0.91 GRM4 (0.44) WDR5GRIN1GRIN2A
SCHEMBL24620582 0.90 GRM4 (0.44) P2RX3P2RX2MAPK1HSD17B10
SCHEMBL22588976 0.89 ALDH1A1 (0.46) WDR5GRIN1GRIN2A
SCHEMBL29808176 0.89 ALDH1A1 (0.46) WDR5GRIN1GRIN2A
SCHEMBL22588864 0.87 GRM4 (0.46) WDR5
SCHEMBL29808192 0.87 GRM4 (0.46) WDR5
SCHEMBL22588777 0.84 P2RX3 (0.41) P2RX3P2RX2
SCHEMBL24620569 0.83 EPHX2 (0.39) P2RX3P2RX2WDR5GRIN1GRIN2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220095-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H LUNDBECK AS (DK) 2022-07-14 US 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-20220220095-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS KCNA3, KCNK3, KCND3 P2RX3 117/4885P2RX2 196/4885WDR5 2499/4885

“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.