SCHEMBL5169152

SCHEMBL5169152

CC(=O)NC(OC(C)=O)C(C)CCc1ccc(C#CCOc2ccc(Cl)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACACB O00763 13/20 0.37
GRM5 P41594 1/20 0.35
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
ACACA Q13085 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5169144 1.00 RAB9A (0.42) RAB9AALDH1A1MEN1KMT2AACACB
SCHEMBL5168214 0.83 ACACB (0.33) ACACB
SCHEMBL5168201 0.83 ACACB (0.33) ACACB
Oxalic Acid SCHEMBL5167687 0.80 ALDH1A1 (0.49) RAB9AALDH1A1MEN1KMT2AGRM5
SCHEMBL5168835 0.77 PTGER4 (0.34) ALDH1A1ACACBGRM5SMN1; SMN2
SCHEMBL5168825 0.77 PTGER4 (0.34) ALDH1A1ACACBGRM5SMN1; SMN2
SCHEMBL5166293 0.74 L3MBTL1 (0.36) RAB9AALDH1A1MEN1KMT2AACACB
SCHEMBL5166282 0.74 L3MBTL1 (0.36) RAB9AALDH1A1MEN1KMT2AACACB
SCHEMBL5169576 0.74 MAPT (0.39) RAB9AALDH1A1MEN1KMT2AACACB
SCHEMBL5169149 0.72 RAB9A (0.41) RAB9AALDH1A1MEN1KMT2AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A RAB9A 1895/4885ALDH1A1 129/4885MEN1 1906/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A RAB9A 1895/4885ALDH1A1 129/4885MEN1 1906/4885

“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.