SCHEMBL6767647

SCHEMBL6767647

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.35
GRM5 P41594 1/20 0.35
EGLN1 Q9GZT9 3/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
KDM4E B2RXH2 5/20 0.34
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SCN4A P35499 2/20 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
SCHEMBL5166196 0.83 GRM5 (0.32) GRM5EGLN1
SCHEMBL5166310 0.82 EGLN1 (0.33) EGLN1
SCHEMBL5169149 0.80 RAB9A (0.41) ALDH1A1MEN1RAB9AKMT2AKCNH2
SCHEMBL6304445 0.79 TDP1 (0.31) MEN1KMT2ATDP1
SCHEMBL6304466 0.79 TDP1 (0.32) TDP1
SCHEMBL5168874 0.79 TDP1 (0.32) TDP1
Hydrochloric Acid SCHEMBL6309126 0.78 MAPK1 (0.39) ALDH1A1MEN1RAB9AKMT2ATSHR
SCHEMBL5168423 0.78 HIF1A (0.32) ALDH1A1KDM4EMAPTHPGD
SCHEMBL5167290 0.77 GRM5 (0.37) ALDH1A1GRM5EGLN1KDM4ETDP1
SCHEMBL5168902 0.73 RAB9A (0.33) MEN1RAB9AKMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 129/4885MEN1 1906/4885RAB9A 1895/4885

“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.