SCHEMBL5168978

SCHEMBL5168978

CC(N)(CO)CCc1ccc(C(=O)CCCCc2cccc(F)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLS O94925 2/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DAGLA Q9Y4D2 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
VNN1 O95497 1/20 0.35
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL5166013 0.91 POLB (0.41) POLBTDP1GLSFAAHALDH1A1
SCHEMBL5167076 0.89 NAAA (0.41) NAAAPOLBTDP1GLSALDH1A1
SCHEMBL6310783 0.88 HDAC1 (0.42) POLBTDP1FAAH
SCHEMBL5166217 0.88 NAAA (0.41) NAAAPOLBTDP1FAAHALDH1A1
SCHEMBL387153 0.88 S1PR1 (0.37) NAAAPOLBTDP1FAAHDAGLA
SCHEMBL385369 0.87 POLB (0.42) NAAAPOLBTDP1FAAHALDH1A1
SCHEMBL383586 0.87 TDP1 (0.46) POLBTDP1FAAHALDH1A1LMNA
SCHEMBL3082998 0.87 TDP1 (0.46) POLBTDP1FAAHALDH1A1LMNA
SCHEMBL5166252 0.87 ALDH1A1 (0.40) POLBTDP1FAAHALDH1A1LMNA
SCHEMBL5167451 0.87 POLB (0.40) POLBTDP1ALDH1A1LMNAPRNP

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 NAAA 2999/4885POLB 2838/4885TDP1 3661/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A NAAA 2999/4885POLB 2838/4885TDP1 3661/4885

“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.