SCHEMBL22690761

SCHEMBL22690761

CC(C)OC(=O)N=NC(=O)OC(C)C.[Ar]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HCAR2 Q8TDS4 1/20 0.37
CA12 O43570 7/20 0.33
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA9 Q16790 7/20 0.33
CA7 P43166 5/20 0.33
CA14 Q9ULX7 5/20 0.33
LMNA P02545 3/20 0.33
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL27539518 0.97 TSHR (0.50) TSHRHCAR2CA12CA1CA2
SCHEMBL19256 0.97 TSHR (0.50) TSHRHCAR2CA12CA1CA2
SCHEMBL444245 0.97 TSHR (0.50) TSHRHCAR2CA12CA1CA2
SCHEMBL19257 0.97 TSHR (0.50) TSHRHCAR2CA12CA1CA2
SCHEMBL28883041 0.94 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL29860029 0.94 TSHR (0.48) TSHRHCAR2CA12CA1CA2
Water SCHEMBL30250355 0.94 TSHR (0.48) TSHRHCAR2CA12CA1CA2
Hydrogen Peroxide SCHEMBL27935318 0.94 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL31071641 0.94 TSHR (0.48) TSHRHCAR2CA12CA1CA2
Hydrochloric Acid SCHEMBL27273097 0.94 TSHR (0.48) TSHRHCAR2CA12CA1CA2

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 TSHR 4306/4885HCAR2 4643/4885CA12 3785/4885
US-20230081720-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, CD74, CD99 TSHR 4211/4885HCAR2 4137/4885CA12 2292/4885
US-20240042051-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, CD58, LENG8 TSHR 4328/4885HCAR2 4643/4885CA12 2349/4885

“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.