SCHEMBL383977

SCHEMBL383977

CC(N)(CCc1ccc(C(=O)CCCCc2ccccc2)s1)COC(=O)/C=C\C(=O)OCC(C)(N)CCc1ccc(C(=O)CCCCc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES1 P23141 6/20 0.39
FAAH O00519 7/20 0.39
DAGLA Q9Y4D2 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
DPP4 P27487 1/20 0.36
ACHE P22303 1/20 0.36
SGMS1 Q86VZ5 1/20 0.36
SGMS2 Q8NHU3 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
SCHEMBL383586 0.84 TDP1 (0.46) POLBTDP1CES1FAAHDAGLA
SCHEMBL3082998 0.84 TDP1 (0.46) POLBTDP1CES1FAAHDAGLA
SCHEMBL3510680 0.84 S1PR1 (0.50) POLBTDP1CES1FAAH
SCHEMBL385668 0.84 S1PR1 (0.50) POLBTDP1CES1FAAH
Fumaric Acid SCHEMBL383978 0.84 POLB (0.42) POLBTDP1CES1FAAHDAGLA
Maleic Acid SCHEMBL383976 0.84 POLB (0.42) POLBTDP1CES1FAAHDAGLA
SCHEMBL383897 0.83 S1PR1 (0.49) POLBTDP1CES1FAAH
Hydrochloric Acid SCHEMBL5170441 0.83 TDP1 (0.45) POLBTDP1CES1FAAHDAGLA
SCHEMBL5166341 0.83 POLB (0.48) POLBTDP1CES1FAAHDAGLA
SCHEMBL6765320 0.83 TDP1 (0.49) POLBTDP1CES1FAAHDAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (4 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-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 POLB 4236/4885TDP1 4400/4885CES1 524/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB POLB 2273/4885TDP1 3739/4885CES1 834/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 POLB 1738/4885TDP1 3799/4885CES1 945/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A POLB 1476/4885TDP1 3477/4885CES1 2087/4885

“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.