SCHEMBL21751741

SCHEMBL21751741

CC(C)(C)OC(=O)CCOCCN1CCN(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
PKM P14618 4/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 7/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21751619 0.99 MAPT (0.47) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751563 0.99 MAPT (0.47) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751484 0.88 MAPT (0.50) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751504 0.88 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751488 0.88 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751571 0.88 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751513 0.87 MAPT (0.49) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751709 0.87 MAPT (0.49) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751622 0.85 BCL2 (0.52) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL23165503 0.82 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2GAA

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-12220419-B2 BCL-2 inhibitors NEWAVE PHARMACEUTICAL INC. (US) 2025-02-11 US disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 US disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 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 (2 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-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 MAPT 4392/4885PKM 2525/4885POLB 1338/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 MAPT 4392/4885PKM 2525/4885POLB 1338/4885

“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.