SCHEMBL12986900

SCHEMBL12986900

C[C@H](NC(=O)OC(C)(C)C)C(=O)OCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.45
ALDH1A1 P00352 2/20 0.44
CD274 Q9NZQ7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
ATM Q13315 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
JAK2 O60674 1/20 0.40
ACACB O00763 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL12985919 1.00 CTSK (0.45) CTSKALDH1A1CD274SMN1; SMN2KDM4E
SCHEMBL21230528 1.00 CTSK (0.45) CTSKALDH1A1CD274SMN1; SMN2KDM4E
SCHEMBL8903360 0.83 TSHR (0.39) CTSKALDH1A1CD274SMN1; SMN2KDM4E
SCHEMBL22988104 0.81 CD274 (0.52) CTSKALDH1A1CD274JAK2TDP1
SCHEMBL13160615 0.81 CD274 (0.52) CTSKALDH1A1CD274JAK2TDP1
SCHEMBL4984224 0.80 CTSK (0.47) CTSKALDH1A1CD274SMN1; SMN2CTSL
SCHEMBL4984232 0.80 CTSK (0.47) CTSKALDH1A1CD274SMN1; SMN2CTSL
SCHEMBL12014420 0.78 ATM (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDATM
SCHEMBL25669794 0.78 HRH3 (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDATM
SCHEMBL10164354 0.77 CTSK (0.43) CTSKCD274SMN1; SMN2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383932-A1 Phenol Prodrugs HARP BIO INC. 2024-11-21 US disclosed
US-20210380626-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES MAVERIX ONCOLOGY, INC. 2021-12-09 US disclosed
WO-2019152911-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES EVERETT STEVEN ALBERT (US) 2019-08-08 WO disclosed
WO-2010146299-A1 AZETIDINE-DERIVED ESTERS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS CANNABINOID RECEPTOR MODULATORS SANOFI-AVENTIS (FR) 2010-12-23 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 (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-20210380626-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES ZYX, KRAS, SLC7A5 CTSK 3518/4885ALDH1A1 3278/4885CD274 1450/4885
US-20240383932-A1 Phenol Prodrugs CFTR, PAH, CYP1A1 CTSK 1211/4885ALDH1A1 644/4885CD274 4525/4885

“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.