SCHEMBL1106836

SCHEMBL1106836

CNC(=O)C(C)CSCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 1/20 0.42
ACE P12821 3/20 0.37
MME P08473 2/20 0.37
MAPT P10636 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 1/20 0.32
BMP1 P13497 2/20 0.32
FABP4 P15090 1/20 0.32
BHMT Q93088 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL15948617 0.79 MME (0.35) ACEMME
SCHEMBL11437643 0.79 CYP2D6 (0.50) CYP2D6HIF1AMAPTGMNNTP53
SCHEMBL11437641 0.79 CYP2D6 (0.50) CYP2D6HIF1AMAPTGMNNTP53
SCHEMBL17347852 0.79 CYP2D6 (0.50) CYP2D6HIF1AMAPTGMNNTP53
SCHEMBL12387154 0.77 CYP2D6 (0.48) CYP2D6HIF1AMAPTGMNNTP53
SCHEMBL24072795 0.76
SCHEMBL17845798 0.76
SCHEMBL11455988 0.76 MME (0.38) ACEMMELMNAUSP2
SCHEMBL13024935 0.76 CYP2D6 (0.42) CYP2D6HIF1AACEMAPTGMNN
SCHEMBL12989556 0.75 CYP2D6 (0.46) CYP2D6HIF1AMAPTGMNNTP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CYP2D6 2304/4885HIF1A 912/4885ACE 4725/4885

“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.