SCHEMBL1106820

SCHEMBL1106820

CN(C)C(=O)CCSC(CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.47
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA4 P43681 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
BHMT Q93088 1/20 0.31
FOLH1 Q04609 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL7798008 0.81 CPB1 (0.56) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL13241288 0.79 CPB1 (0.51) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL10933514 0.78 CPB1 (0.62) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL30810339 0.78 CPB1 (0.50) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL13241286 0.77 FOLH1 (0.35) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL1106832 0.76 CPB1 (0.61) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL1106833 0.75 LMNA (0.48) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL8926873 0.75 CPB1 (0.59) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL30810347 0.74 CPB1 (0.46) CPB1ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL12132164 0.72 CPB1 (0.45) CPB1ALDH1A1POLBCYP2C19CYP2C9

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
US-8318853-B2 Thermally-responsive dispersants for media formulations EASTMAN KODAK COMPANY (US) 2012-11-27 US disclosed
US-8153716-B2 Dispersant for an aqueous dispersion of positively charged or chargeable solid particulates which comprises a compound having an anchoring moiety linked to a polymeric hydrophilic moiety; inkjet recording element EASTMAN KODAK COMPANY (US) 2012-04-10 US disclosed
US-8063132-B2 Coating composition comprising boehmite particles and one or more dispersants and a method of coating a substrate using said coating composition EASTMAN KODAK COMPANY (US) 2011-11-22 US disclosed
US-20100184910-A1 THERMALLY-RESPONSIVE DISPERSANTS FOR MEDIA FORMULATIONS BANK OF AMERICA, N.A., AS AGENT 2010-07-22 US disclosed
US-20080145546-A1 Dispersant For Reducing Viscosity Of Particulate Solids FPC INC. 2008-06-19 US disclosed
US-20080090012-A1 Aqueous boehmite particles of a hydrophilic polymer having a linked anchoring moiety which contains acid(s) and/or hydroxy(s); the polymeric moiety has a lower affinity for a boehmite surface than the anchoring moiety; mercaptosuccinic acid-modified polyacrylamide; ink jet; paper coating; gloss porousity KODAK PHILIPPINES LTD. 2008-04-17 US 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 (1 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-20080090012-A1 Aqueous boehmite particles of a hydrophilic polymer having a linked anchoring moiety which contains acid(s) and/or hydroxy(s); the polymeric moiety has a lower affinity for a boehmite surface than the anchoring moiety; mercaptosuccinic acid-modified polyacrylamide; ink jet; paper coating; gloss porousity CD44, MPST, BHMT2 CPB1 4252/4885ALDH1A1 320/4885POLB 3909/4885

“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.