SCHEMBL26466455

SCHEMBL26466455

CCC1C(=CCO)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CTSK P43235 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H2 P55055 2/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL26466448 0.82 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL26100201 0.80 NFKB1 (0.37) ALDH1A1CTSKMEN1KMT2AATM
SCHEMBL19078479 0.79 ATM (0.41) ALDH1A1CTSKMEN1KMT2ANR1H2
SCHEMBL2576337 0.74 MAP4K4 (0.36) ALDH1A1CTSKMEN1KMT2ANR1H2
SCHEMBL7714098 0.74 MAP4K4 (0.36) ALDH1A1CTSKMEN1KMT2ANR1H2
SCHEMBL21834515 0.73 ATM (0.42) ALDH1A1CTSKMEN1KMT2AATM
SCHEMBL21818930 0.73 ATM (0.42) ALDH1A1CTSKMEN1KMT2AATM
SCHEMBL3883677 0.73 NR1H2 (0.43) ALDH1A1CTSKMEN1KMT2ANR1H2
SCHEMBL3883681 0.73 NR1H2 (0.43) ALDH1A1CTSKMEN1KMT2ANR1H2
SCHEMBL452693 0.73 ADORA1 (0.38) ALDH1A1NR1H2ATMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-05-04 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 (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-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 ALDH1A1 383/4885CTSK 792/4885MEN1 2856/4885

“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.