SCHEMBL5167474

SCHEMBL5167474

CC(N)(CO)CCc1ccc(C(=O)CCOc2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PPARA Q07869 1/20 0.38
S1PR5 Q9H228 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL5165561 0.94 S1PR4 (0.41) TDP1S1PR4S1PR1S1PR3HDAC3
SCHEMBL5167524 0.93 S1PR4 (0.43) TDP1S1PR4S1PR1S1PR3HDAC3
SCHEMBL386555 0.86 S1PR4 (0.49) TDP1S1PR4S1PR1S1PR3HDAC3
SCHEMBL385986 0.85 S1PR1 (0.50) TDP1S1PR4S1PR1S1PR3S1PR5
SCHEMBL5169702 0.84 S1PR1 (0.40) TDP1S1PR4S1PR1S1PR3PPARA
SCHEMBL5167475 0.84 MAPT (0.40) TDP1S1PR4S1PR1S1PR3HDAC4
SCHEMBL5167727 0.84 S1PR1 (0.40) TDP1S1PR4S1PR1S1PR3S1PR5
SCHEMBL5166829 0.84 PPARA (0.40) TDP1S1PR4S1PR1S1PR3PPARA
SCHEMBL5166095 0.83 MTNR1A (0.39) TDP1POLBKMT2A
SCHEMBL5169594 0.83 SMN1; SMN2 (0.43) POLBCYP1A2CYP3A4CYP2C19NPC1

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 TDP1 3661/4885S1PR4 2494/4885S1PR1 1542/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TDP1 3661/4885S1PR4 2494/4885S1PR1 1542/4885

“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.