SCHEMBL29579441

SCHEMBL29579441

COC(=O)C1=CNC=C(C(=O)OC)C1c1cc(F)c(F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 7/20 0.50
GAA P10253 6/20 0.50
HPGD P15428 6/20 0.50
GLA P06280 5/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ATM Q13315 2/20 0.50
POLB P06746 2/20 0.49
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RCE1 Q9Y256 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
CFTR P13569 3/20 0.36
NOTUM Q6P988 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
SOS1 Q07889 1/20 0.33

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
SCHEMBL24477918 1.00 KDM4E (0.50) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL29079159 0.95 KDM4E (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL24477888 0.85 KDM4E (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL24477889 0.85 KDM4E (0.59) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL30483543 0.85 KDM4E (0.59) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL26970374 0.84 ASPH (0.32) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL29079165 0.81 KDM4E (0.54) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL24477898 0.79 GAA (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL30483542 0.79 GAA (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL24477896 0.78 KDM4E (0.51) KDM4EALDH1A1GAAHPGDGLA

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-20230416203-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCA3.1, FOR USE AS PLATFORM THERAPEUTICS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-12-28 US disclosed
EP-4251611-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, Kca3.1, FOR USE AS PLATFORM THERAPEUTICS Nanyang Technological University (SG) 2023-10-04 EP disclosed
WO-2022115043-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCa3.1, FOR USE AS PLATFORM THERAPEUTICS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-06-02 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-20230416203-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCA3.1, FOR USE AS PLATFORM THERAPEUTICS KCNN3, KCNN1, KCNN2 KDM4E 1441/4885ALDH1A1 3090/4885GAA 2829/4885

“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.