SCHEMBL5167076

SCHEMBL5167076

Cc1cccc(CCCCC(=O)c2ccc(CCC(C)(N)CO)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 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
FDPS P14324 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 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
SCHEMBL5166217 0.89 NAAA (0.41) NAAAPOLBTDP1GRM2GRM3
SCHEMBL5168978 0.89 NAAA (0.40) NAAAPOLBTDP1ALDH1A1LMNA
SCHEMBL383586 0.88 TDP1 (0.46) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3082998 0.88 TDP1 (0.46) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5166252 0.88 ALDH1A1 (0.40) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL384024 0.87 FDPS (0.41) NAAAPOLBTDP1HDAC1HDAC3
SCHEMBL5167470 0.87 POLB (0.43) NAAAPOLBTDP1ALDH1A1LMNA
SCHEMBL5166341 0.87 POLB (0.48) POLBTDP1ALDH1A1LMNAPRNP
Hydrochloric Acid SCHEMBL5170441 0.87 TDP1 (0.45) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5168050 0.87 HDAC1 (0.47) HDAC1HDAC6GRM2GRM3TAAR1

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-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
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 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.