SCHEMBL4846824

SCHEMBL4846824

CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.46
CACNA1B Q00975 4/20 0.45
MMP13 P45452 1/20 0.45
CTSS P25774 3/20 0.44
REN P00797 4/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMB5 P28074 1/20 0.41
ACE P12821 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL5349089 0.90 PSMB1 (0.51) CTSKCACNA1BPSMB1PSMB8PSMB9
SCHEMBL5351816 0.89 GRN (0.43) CTSKCACNA1BCTSSRENPSMB1
SCHEMBL5124536 0.88 CTSK (0.47) CTSKCACNA1BCTSSRENALDH1A1
SCHEMBL5124003 0.87 CTSK (0.45) CTSKCACNA1BCTSSRENACE
SCHEMBL5123388 0.84 CTSK (0.47) CTSKCTSSRENHTT
SCHEMBL4841915 0.82 CACNA1B (0.59) CACNA1BALDH1A1LMNAHRH3
SCHEMBL5350415 0.81 HTT (0.52) CACNA1BMMP13ALDH1A1LMNAHRH3
SCHEMBL5355876 0.81 CACNA1B (0.51) CACNA1BALDH1A1LMNAHRH3
SCHEMBL5355126 0.81 MAPK14 (0.42) CTSKCACNA1BCTSSRENALDH1A1
SCHEMBL4846817 0.81 CACNA1B (0.59) CTSKCACNA1BMMP13CTSSREN

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 11 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-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
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-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
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 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
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 (2 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 CTSK 895/4885CACNA1B 2/4885MMP13 2245/4885
US-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CTSK 3691/4885CACNA1B 1/4885MMP13 3055/4885

“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.