SCHEMBL5166076

SCHEMBL5166076

CC(N)(CO)CCc1ccc(C(=O)CCOCC2CCCCC2)s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 17/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAAA Q02083 1/20 0.31

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
SCHEMBL384032 0.88 S1PR4 (0.39) SPHK1NPC1TP53HPGDTSHR
SCHEMBL386209 0.87 S1PR1 (0.40) SPHK1NPC1TP53HPGDTSHR
SCHEMBL5169026 0.85 HPGD (0.35) NPC1TP53HPGDTSHRRAB9A
SCHEMBL386150 0.85 POLB (0.37) NPC1TP53HPGDTSHRRAB9A
SCHEMBL386928 0.84 TDP1 (0.39) SPHK1NPC1TP53HPGDTSHR
SCHEMBL6305682 0.84 SPHK1 (0.34) SPHK1
SCHEMBL5167809 0.83 TDP1 (0.40) SPHK1NPC1TP53HPGDTSHR
SCHEMBL5166844 0.82 POLB (0.34) NPC1TP53HPGDTSHRRAB9A
SCHEMBL5166200 0.81 POLB (0.36) NPC1TP53HPGDTSHRRAB9A
SCHEMBL5169129 0.80 SLC1A3 (0.34) NPC1TP53HPGDTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP claimed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP claimed
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 SPHK1 3005/4885NPC1 3349/4885TP53 3586/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A SPHK1 3005/4885NPC1 3349/4885TP53 3586/4885

“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.