SCHEMBL5166310

SCHEMBL5166310

CCc1ccc(OCC#Cc2ccc(C(N)C[C@@H](C)COC(=O)/C=C\C(=O)OC[C@H](C)CC(N)c3ccc(C#CCOc4ccc(CC)cc4)s3)s2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.33
PPARA Q07869 1/20 0.32
MAOB P27338 1/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
ACACB O00763 3/20 0.31
ADAM17 P78536 1/20 0.30

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
SCHEMBL5166196 0.91 GRM5 (0.32) EGLN1
SCHEMBL5167356 0.88 MAOB (0.33) MAOBADAM17
SCHEMBL6304445 0.86 TDP1 (0.31) ACACB
SCHEMBL5168874 0.86 TDP1 (0.32)
SCHEMBL6304466 0.86 TDP1 (0.32)
SCHEMBL5168423 0.85 HIF1A (0.32)
SCHEMBL5167290 0.84 GRM5 (0.37) EGLN1ACACB
SCHEMBL6767647 0.82 ALDH1A1 (0.42) EGLN1
SCHEMBL5169181 0.78
Hydrochloric Acid SCHEMBL6309126 0.74 MAPK1 (0.39) MMP9ADAM17

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 EGLN1 1053/4885PPARA 1299/4885MAOB 1891/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A EGLN1 1053/4885PPARA 1299/4885MAOB 1891/4885

“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.