SCHEMBL5168772

SCHEMBL5168772

C[C@H](CCc1ccc(C(=O)CCCC2CCCCC2)s1)C(N)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER2 P43116 5/20 0.34
PTGER3 P43115 4/20 0.34
PTGDR Q13258 3/20 0.34
FAAH O00519 2/20 0.33
PTGER4 P35408 2/20 0.33
MC4R P32245 1/20 0.33
PTGER1 P34995 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL5168523 0.97 POLB (0.37) POLBTDP1NPC1RAB9ATP53
SCHEMBL5168436 0.96 TDP1 (0.39) POLBTDP1NPC1RAB9ATP53
SCHEMBL6309593 0.83 CEL (0.37)
SCHEMBL5167726 0.82 CYSLTR2 (0.36)
SCHEMBL6303117 0.82 CYSLTR2 (0.36)
SCHEMBL386150 0.78 POLB (0.37) POLBTDP1NPC1RAB9ATP53
SCHEMBL5168860 0.77 POLB (0.45) POLBTDP1PTGER2FAAHPTGER4
SCHEMBL5165505 0.77 POLB (0.38) POLBTDP1NPC1RAB9ATP53
Oxalic Acid SCHEMBL5165255 0.76 TDP1 (0.41) POLBTDP1NPC1RAB9AHPGD
SCHEMBL5167627 0.76 TRPV3 (0.30)

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 4 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
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 (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-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A POLB 2838/4885TDP1 3661/4885NPC1 3349/4885

“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.