SCHEMBL4295798

SCHEMBL4295798

CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.44
CTSS P25774 4/20 0.44
GAA P10253 1/20 0.43
EPHX1 P07099 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BTK Q06187 1/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
TSHR P16473 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
MMP2 P08253 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL10660697 1.00 CTSK (0.44) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL2484085 1.00 CTSK (0.44) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL6012552 1.00 CTSK (0.44) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL16469899 1.00 CTSK (0.44) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL5612749 1.00 CTSK (0.44) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL2485379 0.88 GAA (0.43) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL10663281 0.87 GAA (0.43) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL22143951 0.87 CTSK (0.45) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL22143664 0.87 CTSK (0.48) CTSKCTSSGAAEPHX1HDAC4
SCHEMBL1432759 0.87 CTSK (0.48) CTSKCTSSGAAEPHX1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304216-B2 Method for production of erythro-or threo-2-amino-3-hydroxypropionic acid ester, novel carbonyl reductase, gene for the reductase, vector, transformant, and method for production of optically active alcohol using those KANEKA CORPORATION (JP) 2012-11-06 US disclosed
US-20090186391-A1 Method for Production of Erythro-or threo-2-Amino-3-Hydroxypropionic Acid Ester, Novel Carbonyl Reductase, Gene for the Reductase, Vector, Transformant, and Method for Production of Optically Active Alcohol Using Those KANEKA CORPORATION (JP) 2009-07-23 US disclosed
EP-1995314-A1 METHOD FOR PRODUCTION OF ERYTHRO- OR THREO-2-AMINO-3-HYDROXYPROPIONIC ACID ESTER, NOVEL CARBONYL REDUCTASE, GENE FOR THE REDUCTASE, VECTOR, TRANSFORMANT, AND METHOD FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOL USING THOSE Kaneka Corporation (JP) 2008-11-26 EP disclosed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7053090-B2 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-30 US disclosed
EP-1619194-A2 Triazaspiro[5.5]undecane derivatives and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP disclosed
US-20050215557-A1 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-09-29 US disclosed
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-06-03 US disclosed
US-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
EP-1378510-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 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 (4 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-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient NONO, NAA15, USO1 CTSK 3918/4885CTSS 3155/4885GAA 2138/4885
US-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ACKR3, CXCR5, CCL11 CTSK 1216/4885CTSS 1683/4885GAA 3924/4885
US-20050215557-A1 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ACKR3, CCL11, CCR7 CTSK 1096/4885CTSS 1623/4885GAA 4041/4885
US-20090186391-A1 Method for Production of Erythro-or threo-2-Amino-3-Hydroxypropionic Acid Ester, Novel Carbonyl Reductase, Gene for the Reductase, Vector, Transformant, and Method for Production of Optically Active Alcohol Using Those ADH5, ADH1C, ADH1A CTSK 4790/4885CTSS 4782/4885GAA 3852/4885

“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.