SCHEMBL22690491

SCHEMBL22690491

CC(C)[C@H](NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 10/20 0.41
▸ C3AR1 Q16581 1/20 0.36
▸ HTT P42858 1/20 0.34
▸ MAP1LC3B Q9GZQ8 2/20 0.34
▸ NPY1R P25929 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ NPY4R P50391 1/20 0.32

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
SCHEMBL17637465 1.00 FURIN (0.41) FURINC3AR1HTTMAP1LC3BNPY1R
SCHEMBL22691097 0.98 FURIN (0.42) FURINC3AR1HTTMAP1LC3BSMN1; SMN2
SCHEMBL22691094 0.98 FURIN (0.42) FURINC3AR1HTTMAP1LC3BSMN1; SMN2
SCHEMBL28592862 0.93 FURIN (0.41) FURINC3AR1HTTMAP1LC3BNPY1R
SCHEMBL17637464 0.93 FURIN (0.41) FURINC3AR1HTTMAP1LC3BNPY1R
SCHEMBL22690514 0.93 FURIN (0.41) FURINC3AR1HTTMAP1LC3BNPY1R
SCHEMBL28592858 0.93 FURIN (0.41) FURINC3AR1HTTMAP1LC3BNPY1R
SCHEMBL28604515 0.91 FURIN (0.41) FURINC3AR1NPY1RNPY4R
SCHEMBL28604524 0.91 FURIN (0.41) FURINC3AR1NPY1RNPY4R
SCHEMBL28650727 0.91 FURIN (0.39) FURINC3AR1HTTMAP1LC3BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3972649-B1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2026-05-13 — — EP disclosed
US-20240042051-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE LES LABORATOIRES SERVIER (FR) 2024-02-08 — — US disclosed
EP-4251208-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2023-10-04 — — EP disclosed
US-20230092679-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-03-23 — — US disclosed
US-20230081720-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-03-16 — — US disclosed
WO-2022115451-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2022-06-02 — — WO disclosed
EP-3972651-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2022-03-30 — — EP disclosed
EP-3972649-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2022-03-30 — — EP disclosed
WO-2020236825-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 — — WO disclosed
WO-2020236817-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 — — 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-20230092679-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, BCL9, BAK1 FURIN 3583/4885C3AR1 3376/4885HTT 2963/4885
US-20230081720-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, CD74, CD99 FURIN 3922/4885C3AR1 4036/4885HTT 3594/4885
US-20240042051-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, CD58, LENG8 FURIN 2649/4885C3AR1 2912/4885HTT 3986/4885

“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.

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