SCHEMBL25569896

SCHEMBL25569896

CC[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
PARP1 P09874 2/20 0.35
CETP P11597 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HSD11B1 P28845 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL8936130 0.87 NR1H2 (0.42) ATMMEN1KMT2ANR1H2PARP1
SCHEMBL19389920 0.86 ATM (0.40) ATMALDH1A1MEN1KMT2APARP1
SCHEMBL6183315 0.86 HSD17B10 (0.35) ATMMEN1KMT2ANR1H2PARP1
SCHEMBL3941124 0.84 ATM (0.43) ATMALDH1A1MEN1KMT2APARP1
SCHEMBL21360450 0.84 ATM (0.43) ATMALDH1A1MEN1KMT2APARP1
SCHEMBL19074545 0.84 MEN1 (0.34) ATMALDH1A1MEN1KMT2ANR1H2
SCHEMBL29280769 0.84 MEN1 (0.34) ATMALDH1A1MEN1KMT2ANR1H2
SCHEMBL9696891 0.84 MEN1 (0.34) ATMALDH1A1MEN1KMT2ANR1H2
SCHEMBL25569891 0.83 PARP1 (0.36) ATMALDH1A1MEN1KMT2ANR1H2
SCHEMBL12300133 0.82 HSD11B1 (0.34) ATMALDH1A1MEN1KMT2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270868-A1 PYRROLOBENZODIAZEPINE DIMER PRODRUG AND LIGAND-LINKER CONJUGATE COMPOUND OF THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-08-31 US disclosed
US-11654197-B2 Pyrrolobenzodiazepine dimer prodrug and ligand-linker conjugate compound of the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-05-23 US 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 (2 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-11654197-B2 Pyrrolobenzodiazepine dimer prodrug and ligand-linker conjugate compound of the same GABRP, GABRD, GABBR2 ATM 3234/4885ALDH1A1 1783/4885MEN1 3471/4885
US-20230270868-A1 PYRROLOBENZODIAZEPINE DIMER PRODRUG AND LIGAND-LINKER CONJUGATE COMPOUND OF THE SAME BCR, PIN1, PAICS ATM 3659/4885ALDH1A1 2134/4885MEN1 2543/4885

“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.