SCHEMBL5356439

SCHEMBL5356439

C[C@@H](NC(=S)[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ CACNA1B Q00975 1/20 0.38
▸ MCL1 Q07820 8/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ USP21 Q9UK80 2/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ HTRA1 Q92743 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL5356991 1.00 ATM (0.41) ATMCACNA1BMCL1L3MBTL1HSD17B10
SCHEMBL5350301 0.89 CACNA1B (0.44) ATMCACNA1BMCL1L3MBTL1HSD17B10
SCHEMBL4845089 0.89 CACNA1B (0.35) CACNA1BL3MBTL1USP21USP2ADAMTS4
SCHEMBL5351656 0.88 CACNA1B (0.36) CACNA1BL3MBTL1USP21USP2ADAMTS4
SCHEMBL5356987 0.84 CACNA1B (0.51) ATMCACNA1BMCL1L3MBTL1HSD17B10
SCHEMBL5356434 0.84 CACNA1B (0.51) ATMCACNA1BMCL1L3MBTL1HSD17B10
SCHEMBL5365046 0.83 PPARG (0.44) CACNA1BL3MBTL1ADAMTS4ADAMTS5MAPT
SCHEMBL5348417 0.83 PPARG (0.44) CACNA1BL3MBTL1ADAMTS4ADAMTS5MAPT
SCHEMBL5363821 0.83 PPARG (0.44) CACNA1BL3MBTL1ADAMTS4ADAMTS5MAPT
SCHEMBL5118885 0.79 ATM (0.44) ATMCACNA1BMCL1HSD17B10HTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 — — EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 — — US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 — — EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 — — US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 — — EP disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 — — EP 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A ATM 3517/4885CACNA1B 1/4885MCL1 4543/4885

“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.

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