SCHEMBL4845166

SCHEMBL4845166

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.56
CTSS P25774 5/20 0.56
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CACNA1B Q00975 6/20 0.46
GAA P10253 1/20 0.44
AAK1 Q2M2I8 1/20 0.42
KMT2A Q03164 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL3726757 0.89 CTSK (0.58) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3726766 0.89 CTSK (0.58) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL31551112 0.89 CTSK (0.58) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL18762606 0.87 CTSK (0.56) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL31407449 0.87 CTSK (0.56) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3768454 0.86 CTSK (0.55) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL27444793 0.85 CTSK (0.54) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL19245139 0.85 CTSK (0.53) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL8277352 0.85 CTSK (0.53) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL18762617 0.85 CTSK (0.53) CTSKCTSSHDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040030155-A1 Process for preparing active esters ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US claimed
EP-1350790-A1 PROCESS FOR PREPARING ACTIVE ESTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-08 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-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 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-20040030155-A1 Process for preparing active esters ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
EP-1350790-A1 PROCESS FOR PREPARING ACTIVE ESTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-08 EP disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 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-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 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 (3 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 895/4885CTSS 601/4885HDAC4 4340/4885
US-20040030155-A1 Process for preparing active esters CES1, CYP3A4, CYP3A5 CTSK 1139/4885CTSS 711/4885HDAC4 578/4885
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CTSK 1082/4885CTSS 642/4885HDAC4 4261/4885

“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.