SCHEMBL28533848

SCHEMBL28533848

COC1(C)CCC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.52
PKM P14618 4/20 0.52
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 6/20 0.45
DOT1L Q8TEK3 1/20 0.42
BRD4 O60885 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
SCHEMBL29747239 1.00 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL17071336 0.89 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL1700879 0.87 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL1700440 0.87 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL16160645 0.87 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL1700443 0.87 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL1700499 0.85 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL1700911 0.84 MAPT (0.51) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL21542144 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2NPSR1
SCHEMBL523824 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376104-A1 Bcl-2 Inhibitors BEIGENE LTD. (KY) 2024-11-14 US disclosed
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed
WO-2022140224-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. (US) 2022-06-30 WO disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN 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-20240376104-A1 Bcl-2 Inhibitors BCL2, BCL2L1, BCL2L2 MAPT 2900/4885PKM 4250/4885POLB 1879/4885

“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.