SCHEMBL5167470

SCHEMBL5167470

Cc1ccc(CCCCC(=O)c2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
S1PR1 P21453 10/20 0.41
S1PR3 Q99500 8/20 0.41
S1PR5 Q9H228 2/20 0.41
RECQL P46063 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.37
NAAA Q02083 1/20 0.37
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TNNC1 P63316 4/20 0.35
SGPL1 O95470 1/20 0.35
S1PR4 O95977 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35

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
SCHEMBL6774680 0.99 POLB (0.44) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL6770520 0.97 S1PR1 (0.44) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL3509370 0.91 S1PR1 (0.41) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL3509408 0.91 S1PR1 (0.41) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL5169197 0.91 POLB (0.45) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL5168929 0.90 POLB (0.42) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL385369 0.90 POLB (0.42) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL383586 0.90 TDP1 (0.46) POLBTDP1RECQLALDH1A1LMNA
SCHEMBL3082998 0.90 TDP1 (0.46) POLBTDP1RECQLALDH1A1LMNA
SCHEMBL5166467 0.89 ALDH1A1 (0.43) POLBTDP1S1PR1S1PR3S1PR5

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
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US claimed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
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 3661/4885S1PR1 1542/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A POLB 2838/4885TDP1 3661/4885S1PR1 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.