SCHEMBL7108927

SCHEMBL7108927

C[C@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NSC(C1CCCCC1)[C@H](C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.37
USP21 Q9UK80 1/20 0.36
BIRC2 Q13490 1/20 0.34
CACNA1B Q00975 1/20 0.34
F13A1 P00488 3/20 0.34
TGM2 P21980 3/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
C3AR1 Q16581 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL7109484 0.87 USP21 (0.40) ATMHSD17B10USP21BIRC2CACNA1B
SCHEMBL7105560 0.79 USP21 (0.39) ATMUSP21ALDH1A1LMNAMEN1
SCHEMBL5356434 0.77 CACNA1B (0.51) ATMHSD17B10USP21CACNA1BF13A1
SCHEMBL5356987 0.77 CACNA1B (0.51) ATMHSD17B10USP21CACNA1BF13A1
SCHEMBL7105883 0.76 HSD17B10 (0.45) ATMHSD17B10BIRC2CACNA1BLMNA
SCHEMBL7110470 0.75 MEN1 (0.43) ATMHSD17B10BIRC2CACNA1BALDH1A1
SCHEMBL7110901 0.75 MEN1 (0.43) ATMHSD17B10BIRC2CACNA1BALDH1A1
SCHEMBL7105591 0.75 MEN1 (0.43) ATMHSD17B10BIRC2CACNA1BALDH1A1
SCHEMBL5356439 0.75 ATM (0.41) ATMHSD17B10USP21CACNA1BMAPT
SCHEMBL5356991 0.75 ATM (0.41) ATMHSD17B10USP21CACNA1BMAPT

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-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed

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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A ATM 3517/4885HSD17B10 1544/4885USP21 3684/4885

“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.