SCHEMBL1106817

SCHEMBL1106817

NC(=O)CCSC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CPB1 P15086 1/20 0.40
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
FOLH1 Q04609 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
BHMT Q93088 1/20 0.30

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
SCHEMBL13241291 0.82 TDP1 (0.45) TDP1CPB1FOLH1SMN1; SMN2BHMT
SCHEMBL1106832 0.79 CPB1 (0.61) TDP1CPB1ALOX15BLMPMP22
SCHEMBL19399162 0.76 TDP1 (0.38) TDP1CPB1FOLH1
SCHEMBL2680480 0.69 TDP1 (0.74) TDP1CPB1ALOX15BLMPMP22
SCHEMBL1106828 0.67 ALOX15 (0.40) CPB1ALOX15BLMPMP22KMT2A
SCHEMBL16925719 0.66 TDP1 (1.00) TDP1CPB1FOLH1SMN1; SMN2
SCHEMBL17517216 0.66 TDP1 (1.00) TDP1CPB1FOLH1SMN1; SMN2
SCHEMBL22151 0.66 TDP1 (1.00) TDP1CPB1FOLH1SMN1; SMN2
SCHEMBL165643 0.66 TDP1 (1.00) TDP1CPB1FOLH1SMN1; SMN2
SCHEMBL1106827 0.66 ALOX15 (0.35) CPB1ALOX15BLMPMP22KMT2A

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 TDP1 1924/4885CPB1 4252/4885ALOX15 1032/4885

“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.