SCHEMBL5350669

SCHEMBL5350669

CC1(C)N[C@H](C(=O)N[C@H](CCC2CCCCC2)C(=S)NCc2ccc([N+](=O)[O-])cc2)CS1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.38
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
USP21 Q9UK80 3/20 0.36
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 2/20 0.35
DDR1 Q08345 1/20 0.35
MAPK14 Q16539 1/20 0.35
DDR2 Q16832 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK1 Q13464 1/20 0.34
CACNA1G O43497 1/20 0.34
GAA P10253 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
SCHEMBL4842911 0.85 EPHX1 (0.43) EPHX1L3MBTL1ADAMTS4ADAMTS5USP21
Hydrochloric Acid SCHEMBL5361556 0.84 EPHX1 (0.43) EPHX1L3MBTL1ADAMTS4ADAMTS5USP21
SCHEMBL5350665 0.82 CACNA1B (0.45) EPHX1L3MBTL1USP21CYP2C19USP2
SCHEMBL5349527 0.82 EPHX1 (0.43) EPHX1L3MBTL1ADAMTS4ADAMTS5USP21
SCHEMBL5344275 0.80 EPHX1 (0.43) EPHX1L3MBTL1ADAMTS4ADAMTS5USP21
Hydrochloric Acid SCHEMBL5352293 0.79 EPHX1 (0.43) EPHX1L3MBTL1ADAMTS4ADAMTS5USP21
SCHEMBL4845082 0.77 CACNA1B (0.41) EPHX1L3MBTL1ADAMTS4ADAMTS5USP21
Hydrochloric Acid SCHEMBL4843524 0.77 CACNA1B (0.40) EPHX1L3MBTL1ADAMTS4ADAMTS5USP21
SCHEMBL5350526 0.76 L3MBTL1 (0.47) EPHX1L3MBTL1ADAMTS4ADAMTS5MAPT
SCHEMBL4843030 0.76 CACNA1B (0.40) EPHX1L3MBTL1ADAMTS4ADAMTS5USP21

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
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
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US 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 EPHX1 1447/4885L3MBTL1 1375/4885ADAMTS4 4573/4885

“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.