SCHEMBL44241

SCHEMBL44241

C=CNC(=O)CCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
PTGS1 P23219 1/20 0.30
PDE4A P27815 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
SCHEMBL43569 0.94 TSHR (0.39) APPTSHRSMN1; SMN2MAPTEPHX2
SCHEMBL43703 0.92 TSHR (0.38) APPTSHRSMN1; SMN2MAPTEPHX2
SCHEMBL43898 0.92 TSHR (0.38) APPTSHRSMN1; SMN2MAPTEPHX2
SCHEMBL43986 0.92 TSHR (0.38) APPTSHRSMN1; SMN2MAPTEPHX2
SCHEMBL44362 0.88 PTGS1 (0.32) APPTSHRSMN1; SMN2MAPTPTGS1
SCHEMBL5707749 0.77 APP (0.41) APPTSHRSMN1; SMN2MAPTEPHX2
SCHEMBL7859407 0.75 APP (0.39) APPTSHRSMN1; SMN2MAPTEPHX2
SCHEMBL20883310 0.74 APP (0.36) APPLMNASLC6A6CYP2C19BLM
SCHEMBL7628967 0.74
SCHEMBL43269 0.74 ACP1 (0.37)

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-1708765-B1 BIOCOMPATIBLE POLYMERIZATION ACCELERATORS SURMODICS INC (US) 2016-08-31 EP disclosed
US-8202833-B2 Coating of polymer containing N-vinyl groups on cells, tissue SURMODICS, INC. (US) 2012-06-19 US disclosed
US-7968614-B2 Macromer composition including light activated initiator SURMODICS, INC. (US) 2011-06-28 US disclosed
EP-1893162-A2 MACROMER COMPOSITION INCLUDING LIGHT ACTIVATED INITIATOR SurModics, Inc. (US) 2008-03-05 EP disclosed
WO-2006138542-A2 MACROMER COMPOSITION INCLUDING LIGHT ACTIVATED INITIATOR SURMODICS, INC. (US) 2006-12-28 WO disclosed
US-20060287410-A1 Macromer composition including light activated initiator SURMODICS, INC. 2006-12-21 US disclosed
US-20050112086-A1 Biocompatible polymerization accelerators SURMODICS, INC. 2005-05-26 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-20050112086-A1 Biocompatible polymerization accelerators VCL, PCNA, CD38 APP 3132/4885TSHR 4231/4885SMN1; SMN2 446/4885

“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.