SCHEMBL26440481

SCHEMBL26440481

Cc1cccc2c(=O)c3cccc(S(=O)(=O)O)c3oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
GLA P06280 1/20 0.41
STING1 Q86WV6 1/20 0.41
TTR P02766 2/20 0.40
ATP1A1 P05023 2/20 0.40
ATP1B1 P05026 2/20 0.40
ATP1A3 P13637 2/20 0.40
ATP1B2 P14415 2/20 0.40
ATP1A2 P50993 2/20 0.40
ATP1B3 P54709 2/20 0.40
FXYD2 P54710 2/20 0.40
ATP1A4 Q13733 2/20 0.40
MAOA P21397 2/20 0.37
ELANE P08246 1/20 0.37
PRKDC P78527 2/20 0.36
SUMO2 P61956 1/20 0.36
SUMO1 P63165 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP3 Q9H4L4 1/20 0.36
SENP2 Q9HC62 1/20 0.36

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
SCHEMBL9379369 0.83 MCL1 (0.52) MCL1GLASTING1TTRATP1A1
SCHEMBL6517159 0.81 TTR (0.52) MCL1TTRSNCANFKB1MEN1
SCHEMBL29945017 0.79 MAOA (0.61) GLATTRMAOAKDM4ENPC1
SCHEMBL13395991 0.73 GLA (0.62) MCL1GLASTING1ATP1A1ATP1B1
SCHEMBL18799361 0.73 MCL1 (0.42) MCL1MAOAELANEPRKDCESR2
SCHEMBL4510654 0.72 TTR (0.60) TTRSUMO2SUMO1SENP7SENP3
SCHEMBL8711628 0.71 MAOA (0.64) GLATTRMAOAMEN1KMT2A
SCHEMBL13308662 0.71 GLA (0.46) MCL1GLASTING1TTRATP1A1
SCHEMBL12531491 0.71 ELANE (0.45) TTRELANEMEN1KMT2AMYC
SCHEMBL1611920 0.71 CYP2A6 (0.55) MCL1MAOAELANEPRKDCESR2

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-20230130102-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER MARSHALL UNIVERSITY RESEARCH CORPORATION 2023-04-27 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-20230130102-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER ATP1A1, ATP1A2, ATP4A MCL1 2849/4885GLA 2273/4885STING1 3698/4885

“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.