SCHEMBL21930650

SCHEMBL21930650

NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1OS(=O)(=O)ON1[C@@H](c2ccc(OCc3ccccc3F)cc2)CC[C@H]1C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.71
SCN3A Q9NY46 11/20 0.55
SCN1A P35498 1/20 0.55
SCN4A P35499 1/20 0.55
SCN7A Q01118 1/20 0.55
SCN5A Q14524 1/20 0.55
SCN9A Q15858 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN8A Q9UQD0 1/20 0.55
SCN10A Q9Y5Y9 1/20 0.55
MAOB P27338 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
FFAR2 O15552 1/20 0.47
MMP1 P03956 1/20 0.44
ADAM17 P78536 1/20 0.44

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
SCHEMBL312070 0.92 KCNH2 (0.72) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL20886464 0.83 KCNH2 (0.77) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2839975 0.83 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2712355 0.82 KCNH2 (0.76) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL2836853 0.82 KCNH2 (0.98) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2712421 0.82 KCNH2 (0.76) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2714986 0.82 KCNH2 (0.76) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL483682 0.82 KCNH2 (0.74) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL24491222 0.78 KCNH2 (0.71) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL22546665 0.78 KCNH2 (0.71) KCNH2SCN3ASCN1ASCN4ASCN7A

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-20200147041-A1 PAROXYSMAL EXTREME PAIN DISORDER TREATMENT Convergence Pharmaceuticals Limited (GB) 2020-05-14 US claimed

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-20200147041-A1 PAROXYSMAL EXTREME PAIN DISORDER TREATMENT PEPD, FAP, PREP KCNH2 348/4885SCN3A 17/4885SCN1A 18/4885

“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.