SCHEMBL21806790

SCHEMBL21806790

CS(=O)(=O)O[C@H]1CCCC[C@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.51
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
HPGD P15428 2/20 0.42
AR P10275 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40
TACR1 P25103 2/20 0.39

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
SCHEMBL21806792 1.00 KCNA5 (0.51) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL21806791 1.00 KCNA5 (0.51) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL22527528 0.94 AR (0.44) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL22527530 0.94 AR (0.44) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL22527529 0.94 AR (0.44) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL21359781 0.83 PSEN1 (0.53) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL16194688 0.81 KCNA5 (0.43) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL16194687 0.81 KCNA5 (0.43) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL24898571 0.81 PSEN1 (0.41) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL22664652 0.81 PSEN1 (0.41) KCNA5PSEN1PSEN2APH1BNCSTN

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-20210347780-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2021-11-11 US disclosed
EP-3853230-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2021-07-28 EP disclosed
WO-2020061279-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2020-03-26 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-20210347780-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO CAMKK1, CAMK1, CAMKK2 KCNA5 2248/4885PSEN1 1917/4885PSEN2 3437/4885

“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.