SCHEMBL5166143

SCHEMBL5166143

CC(N)(CO)CCc1ccc(C(=O)CCCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 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
TACR1 P25103 5/20 0.35
PTGER4 P35408 1/20 0.34
HPGD P15428 1/20 0.34
CES1 P23141 3/20 0.34
FAAH O00519 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL6310783 0.91 HDAC1 (0.42) POLBTDP1PTGER4CES1FAAH
SCHEMBL5166926 0.91 POLB (0.40) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5170464 0.88 POLB (0.40) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5166013 0.87 POLB (0.41) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL386396 0.87 S1PR1 (0.38) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL387458 0.86 S1PR1 (0.45) POLBTDP1S1PR1S1PR3
SCHEMBL5167821 0.85 POLB (0.41) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL385369 0.84 POLB (0.42) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3082998 0.84 TDP1 (0.46) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL383586 0.84 TDP1 (0.46) 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 POLB 2838/4885TDP1 3661/4885ALDH1A1 129/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A POLB 2838/4885TDP1 3661/4885ALDH1A1 129/4885

“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.