SCHEMBL5166252

SCHEMBL5166252

CC(=O)c1cccc(CCCCC(=O)c2ccc(CCC(C)(N)CO)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
PRNP P04156 1/20 0.40
RECQL P46063 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
NPC1 O15118 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
SCHEMBL5167076 0.88 NAAA (0.41) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL386055 0.88 S1PR1 (0.37) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5166467 0.88 ALDH1A1 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5166217 0.87 NAAA (0.41) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5168978 0.87 NAAA (0.40) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL3082998 0.86 TDP1 (0.46) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL383586 0.86 TDP1 (0.46) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL383750 0.86 S1PR1 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
Hydrochloric Acid SCHEMBL5170441 0.85 TDP1 (0.45) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5166341 0.85 POLB (0.48) ALDH1A1LMNAPRNPRECQLRXFP1

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 ALDH1A1 129/4885LMNA 3703/4885PRNP 3572/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A ALDH1A1 129/4885LMNA 3703/4885PRNP 3572/4885

“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.