SCHEMBL5167356

SCHEMBL5167356

CSc1ccc(OCC#Cc2ccc(C(N)C[C@@H](C)COC(=O)/C=C\C(=O)OC[C@H](C)CC(N)c3ccc(C#CCOc4ccc(SC)cc4)s3)s2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
ADAM17 P78536 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RCE1 Q9Y256 1/20 0.32

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
SCHEMBL5168874 0.85 TDP1 (0.32)
SCHEMBL6304466 0.85 TDP1 (0.32)
SCHEMBL5168423 0.84 HIF1A (0.32) KDM4EMAPTLMNAALDH1A1
SCHEMBL5167290 0.83 GRM5 (0.37) KDM4ELMNAALDH1A1
SCHEMBL5169181 0.77
SCHEMBL5169585 0.74 MAPT (0.36) MAOBMAPTLMNAPOLBNPSR1
Hydrochloric Acid SCHEMBL6309126 0.74 MAPK1 (0.39) ADAM17ALDH1A1
SCHEMBL5165258 0.73 DPP4 (0.33)
Maleic Acid SCHEMBL5167353 0.70 ADAM17 (0.34) MAOBAOC3ADAM17KDM4EMAPT
SCHEMBL6310339 0.69 MEN1 (0.37) MAPTALDH1A1

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 MAOB 1891/4885AOC3 702/4885ADAM17 4624/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MAOB 1891/4885AOC3 702/4885ADAM17 4624/4885

“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.