SCHEMBL21751622

SCHEMBL21751622

CC(C)(C)OC(=O)N1CCN(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.52
BCL2L1 Q07817 1/20 0.52
MAPT P10636 8/20 0.52
PKM P14618 3/20 0.52
POLB P06746 1/20 0.52
GAA P10253 5/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ACKR3 P25106 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL23165503 0.95 MAPT (0.55) BCL2BCL2L1MAPTPKMPOLB
SCHEMBL21751741 0.85 MAPT (0.48) BCL2BCL2L1MAPTPKMPOLB
SCHEMBL21751619 0.84 MAPT (0.47) BCL2BCL2L1MAPTPKMPOLB
SCHEMBL21751563 0.84 MAPT (0.47) BCL2BCL2L1MAPTPKMPOLB
SCHEMBL1700248 0.84 MAPT (0.53) BCL2BCL2L1MAPTPKMPOLB
SCHEMBL19503741 0.83 MAPT (0.51) BCL2BCL2L1MAPTPKMPOLB
SCHEMBL1957750 0.83 MAPT (0.63) MAPTPKMPOLBGAALMNA
SCHEMBL1700051 0.82 MAPT (0.52) BCL2BCL2L1MAPTPKMPOLB
SCHEMBL31344646 0.82 MAPT (0.52) BCL2BCL2L1MAPTPKMPOLB
SCHEMBL22581464 0.82 MAPT (0.50) BCL2BCL2L1MAPTPKMPOLB

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 BCL2 2/4885BCL2L1 4/4885MAPT 4392/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 BCL2 2/4885BCL2L1 4/4885MAPT 4392/4885
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 BCL2 3/4885BCL2L1 4/4885MAPT 4406/4885

“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.