SCHEMBL30661965

SCHEMBL30661965

CS(=O)(=O)c1nc(Nc2cc(F)c(F)c(F)c2)cc(NC2CCNCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.55
▸ MAPKAPK2 P49137 1/20 0.38
▸ MAPK1 P28482 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ HTR6 P50406 4/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ APP P05067 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ PLK4 O00444 2/20 0.32
▸ PAK4 O96013 2/20 0.32

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
SCHEMBL30661958 0.84 KCNH2 (0.61) KCNH2MAPKAPK2MAPK1PTGS2HTR6
SCHEMBL30661964 0.84 KCNH2 (0.78) KCNH2MAPKAPK2HTR6
SCHEMBL30661962 0.83 KCNH2 (0.46) KCNH2MAPK1
SCHEMBL25386786 0.77 AURKA (0.40) KCNH2HRH4NMT1
SCHEMBL30514129 0.77 AURKA (0.40) KCNH2HRH4NMT1
SCHEMBL30514119 0.74 KCNH2 (0.45) KCNH2PTGS2
SCHEMBL25388143 0.74 KCNH2 (0.45) KCNH2PTGS2
SCHEMBL25385598 0.71 KCNH2 (0.48) KCNH2HRH4PAK4
SCHEMBL30514109 0.71 KCNH2 (0.48) KCNH2HRH4PAK4
SCHEMBL14190734 0.70 HRH3 (0.59) MAPK1HRH3HRH4NMT1CTSK

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-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 — — US claimed
EP-4242203-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (KR) 2023-09-13 — — EP claimed
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 — — US disclosed
EP-4242203-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (KR) 2023-09-13 — — EP 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-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP KCNH2 3813/4885MAPKAPK2 1160/4885MAPK1 1797/4885

“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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