SCHEMBL5170604

SCHEMBL5170604

CCCCCCCCCCCCCCC#C[CH]SC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.40
PTPN7 P35236 5/20 0.39
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5168877 1.00 HMGCR (0.40) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL5166080 0.91
SCHEMBL4429121 0.77 HMGCR (0.45) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL4169864 0.77 HMGCR (0.45) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL2118927 0.75 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL4223273 0.75 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL4224618 0.75 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL5166824 0.75 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL3023466 0.75 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL5167000 0.75 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR

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 7 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
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP 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 HMGCR 789/4885PTPN7 2680/4885RECQL 4498/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HMGCR 789/4885PTPN7 2680/4885RECQL 4498/4885

“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.