SCHEMBL6138751

SCHEMBL6138751

CCOC(=O)CC(=O)CN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SOAT1 P35610 1/20 0.36
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL196815 0.81
SCHEMBL155563 0.81 GAA (0.78) GAAMGAMSIMGAM2CA12
SCHEMBL28112492 0.81 GAA (0.56) GAAMGAMSIMGAM2CA12
Hydrochloric Acid SCHEMBL1876862 0.79 CA12 (0.57) GAAMGAMSIMGAM2CA12
Iodide SCHEMBL30042709 0.79 CA12 (0.57) GAAMGAMSIMGAM2CA12
Hydrochloric Acid SCHEMBL8143027 0.79 CA12 (0.57) GAAMGAMSIMGAM2CA12
SCHEMBL6138678 0.79 GAA (0.46) GAAMGAMSIMGAM2CA12
SCHEMBL10081491 0.79 GAA (0.44) GAAMGAMSIMGAM2CA12
SCHEMBL28650988 0.79 GAA (0.74) GAAMGAMSIMGAM2CA12
SCHEMBL20674810 0.78 MGAM (0.32) GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
CN-109071545-B Novel pyrazolopyrimidine derivatives 拜耳动物保健有限责任公司 2021-08-03 CN disclosed
EP-1176135-B1 Process for producing optically active alcohol TAKASAGO PERFUMERY CO LTD (JP) 2005-06-15 EP disclosed
US-20040102649-A1 Water soluble chiral diphoshpines RHODIA CHIMIE (FR) 2004-05-27 US disclosed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed
US-6492545-B2 Process for producing optically active alcohol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-12-10 US disclosed
US-20020035283-A1 Process for producing optically active alcohol TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1176135-A1 Process for producing optically active alcohol Takasago International Corporation (JP) 2002-01-30 EP disclosed
US-6166257-A METAL COMPLEX OF AN OPTICALLY ACTIVE BIS(1-PHOSPHA-2,3-DIPHENYL-4,5-DIMETHYLNORBORNADIENE) RHODIA CHIMIE (FR) 2000-12-26 US disclosed
EP-0295109-B2 Process for preparing optically active alcohol TAKASAGO PERFUMERY CO LTD (JP) 1996-09-04 EP disclosed
US-4933482-A HYDROGENATION OF BETA-KETO ACID IN PRESENCE OF RUTHENIUM PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-06-12 US disclosed
EP-0295109-A1 Process for preparing optically active alcohol Takasago International Corporation (JP) 1988-12-14 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-20040102649-A1 Water soluble chiral diphoshpines ADRA1B, ADRB1, ADRA1A GAA 4527/4885MGAM 4519/4885SI 3883/4885
US-20020035283-A1 Process for producing optically active alcohol ADH1A, ADH5, ADH1C GAA 1962/4885MGAM 1283/4885SI 1155/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR GAA 3491/4885MGAM 4708/4885SI 4612/4885

“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.