SCHEMBL5169149

SCHEMBL5169149

CC(=O)NC(C[C@@H](C)COC(C)=O)c1ccc(C#CCOc2ccc(Cl)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 14/20 0.36
ACACA Q13085 4/20 0.36
KCNH2 Q12809 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL5168209 0.83 ACACB (0.33) ACACBACACA
SCHEMBL6767647 0.80 ALDH1A1 (0.42) RAB9AMEN1ALDH1A1KMT2AKCNH2
SCHEMBL5166287 0.75 MTNR1A (0.33) RAB9AMEN1ALDH1A1KMT2AACACB
SCHEMBL5169144 0.72 RAB9A (0.42) RAB9AMEN1ALDH1A1KMT2AACACB
SCHEMBL5169152 0.72 RAB9A (0.42) RAB9AMEN1ALDH1A1KMT2AACACB
SCHEMBL5166196 0.69 GRM5 (0.32) EGLN1
SCHEMBL5166310 0.67 EGLN1 (0.33) ACACBEGLN1
SCHEMBL5166179 0.67 CCR5 (0.40) RAB9AALDH1A1KCNH2NPC1SMN1; SMN2
SCHEMBL6304445 0.65 TDP1 (0.31) MEN1KMT2AACACB
SCHEMBL6302935 0.65 NAAA (0.36) MEN1ALDH1A1KMT2ASMN1; SMN2

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 1895/4885MEN1 1906/4885ALDH1A1 129/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A RAB9A 1895/4885MEN1 1906/4885ALDH1A1 129/4885

“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.