SCHEMBL5165534

SCHEMBL5165534

C[C@@H](COC(=O)C(=O)OC[C@H](C)CC(N)c1ccc(C(O)CCCCc2ccccc2)s1)CC(N)c1ccc(C(O)CCCCc2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.39
FAAH O00519 2/20 0.37
GRIK1 P39086 1/20 0.37
TRPA1 O75762 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL6305328 0.86 ALOX5 (0.38) LTB4RGRIK1LMNA
SCHEMBL6306485 0.83 CES1 (0.40) LTB4RFAAH
SCHEMBL5165260 0.82 NPC1 (0.39) FAAHGRIK1LMNAPKM
SCHEMBL5168944 0.81 GRM5 (0.34) GRIK1LMNA
SCHEMBL5168187 0.78 FFAR1 (0.36)
SCHEMBL5168152 0.77 LMNA (0.39) GRIK1LMNA
Oxalic Acid SCHEMBL5165531 0.71 FAAH (0.41) LTB4RFAAHGRIK1TRPA1S1PR2
SCHEMBL5168867 0.70 CES1 (0.40) FAAH
SCHEMBL18661867 0.65 NAAA (0.54) FAAHTRPA1LMNA
SCHEMBL7925112 0.65 ALDH1A1 (0.50) GRIK1LMNAPKM

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 LTB4R 1427/4885FAAH 1462/4885GRIK1 627/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A LTB4R 1427/4885FAAH 1462/4885GRIK1 627/4885

“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.