SCHEMBL21751571

SCHEMBL21751571

CC(C)(C)OC(=O)CCOCCOCCOCCOCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.54
PKM P14618 4/20 0.54
POLB P06746 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 5/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.44
HCAR3 P49019 1/20 0.43
MEN1 O00255 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
PTPN11 Q06124 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
PTGER4 P35408 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21751488 1.00 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751504 1.00 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751619 0.89 MAPT (0.47) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751563 0.89 MAPT (0.47) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751643 0.88 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751704 0.88 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751573 0.88 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751741 0.88 MAPT (0.48) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751505 0.86 MAPT (0.58) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751600 0.86 MAPT (0.58) 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 5 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-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2022-11-24 US disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 US disclosed
WO-2021066873-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2021-04-08 WO 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 (3 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
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 MAPT 4406/4885PKM 2342/4885POLB 986/4885

“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.