SCHEMBL43703

SCHEMBL43703

C=CNC(=O)CCCCCCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 2/20 0.37
FAAH O00519 1/20 0.36
APP P05067 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.31
CYP3A4 P08684 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
SCHEMBL43898 1.00 TSHR (0.38) TSHRSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL43986 1.00 TSHR (0.38) TSHRSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL43569 0.98 TSHR (0.39) TSHRSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL44241 0.92 APP (0.37) TSHRSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL44362 0.84 PTGS1 (0.32) TSHRSMN1; SMN2APPMAPTLMNA
SCHEMBL29158015 0.84 TSHR (0.50) TSHRSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL21297377 0.76 ABCC4 (0.54) TSHRSMN1; SMN2HDAC11ALDH1A1MAPT
SCHEMBL7866499 0.76 ABCC4 (0.54) TSHRSMN1; SMN2HDAC11ALDH1A1MAPT
SCHEMBL50402 0.76 APP (0.39) TSHRSMN1; SMN2ALDH1A1EPHX2APP
SCHEMBL7974734 0.76 GPR84 (0.44) TSHRSMN1; SMN2HDAC3HDAC1HDAC2

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
US-20060287410-A1 Macromer composition including light activated initiator SURMODICS, INC. 2006-12-21 US disclosed
EP-1708765-A2 BIOCOMPATIBLE POLYMERIZATION ACCELERATORS SurModics, Inc. (US) 2006-10-11 EP disclosed
WO-2005054304-A2 BIOCOMPATIBLE POLYMERIZATION ACCELERATORS SURMODICS, INC. (US) 2005-06-16 WO 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 TSHR 4231/4885SMN1; SMN2 446/4885HDAC3 2917/4885

“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.