SCHEMBL21097406

SCHEMBL21097406

CC(=O)OC1CC2(O)C3CCC4CC([C@@H]5CN(C(=O)O)CCN5)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATP1A1 P05023 5/20 0.44
ATP1B1 P05026 5/20 0.44
ATP1A3 P13637 5/20 0.44
ATP1B2 P14415 5/20 0.44
ATP1A2 P50993 5/20 0.44
ATP1B3 P54709 5/20 0.44
FXYD2 P54710 5/20 0.44
ATP1A4 Q13733 5/20 0.44
CYP3A4 P08684 2/20 0.44
CYP3A5 P20815 2/20 0.44
AR P10275 1/20 0.44
ZFP91 Q96JP5 1/20 0.44
CYP3A7 P24462 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CYP2C19 P33261 1/20 0.35
STAT3 P40763 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
SCHEMBL20421416 0.87 TP53 (0.47) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL714901 0.85 ATP1A1 (0.63) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL20786695 0.84 TP53 (0.47) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL20786696 0.84 TP53 (0.47) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL20421430 0.83 TP53 (0.47) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL22626581 0.82 TP53 (0.56) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL11894112 0.82 TP53 (0.56) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL11894111 0.82 TP53 (0.56) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL20786704 0.82 TP53 (0.46) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL15526975 0.81 TP53 (0.51) TP53SMN1; SMN2ATP1A1ATP1B1ATP1A3

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-10344048-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2019-07-09 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-10344048-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 TP53 1/4885SMN1; SMN2 3577/4885ATP1A1 2930/4885

“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.