SCHEMBL4845089

SCHEMBL4845089

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTRA1 Q92743 2/20 0.34
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
TACR1 P25103 1/20 0.33
USP21 Q9UK80 3/20 0.32
ADAMTS4 O75173 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
PHGDH O43175 1/20 0.32
MAPT P10636 1/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32
BMP1 P13497 1/20 0.32
CCR3 P51677 1/20 0.32
USP2 O75604 1/20 0.31
CACNA1G O43497 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
SCHEMBL5356439 0.89 ATM (0.41) CACNA1BL3MBTL1HTRA1MAPK11MAPK14
SCHEMBL5356991 0.89 ATM (0.41) CACNA1BL3MBTL1HTRA1MAPK11MAPK14
SCHEMBL5351656 0.89 CACNA1B (0.36) CACNA1BL3MBTL1HTRA1MAPK11MAPK14
SCHEMBL4845077 0.84 CACNA1B (0.46) CACNA1BL3MBTL1HTRA1USP21PHGDH
SCHEMBL5395226 0.79 CACNA1G (0.39) L3MBTL1MAPK11MAPK14USP21ADAMTS4
Hydrochloric Acid SCHEMBL4846876 0.79 CACNA1G (0.38) L3MBTL1MAPK11MAPK14USP21ADAMTS4
SCHEMBL4843030 0.78 CACNA1B (0.40) CACNA1BL3MBTL1HTRA1MAPK11MAPK14
SCHEMBL5350301 0.78 CACNA1B (0.44) CACNA1BL3MBTL1HTRA1USP21ADAMTS4
SCHEMBL5349527 0.77 EPHX1 (0.43) CACNA1BL3MBTL1HTRA1MAPK11MAPK14
SCHEMBL5363821 0.77 PPARG (0.44) CACNA1BL3MBTL1MAPK11MAPK14ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US claimed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US claimed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CACNA1B 2/4885L3MBTL1 3066/4885HTRA1 3184/4885

“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.