SCHEMBL3218325

SCHEMBL3218325

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
APP P05067 1/20 0.38
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
EPHX2 P34913 1/20 0.33
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 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
SCHEMBL153933 1.00 TBXAS1 (0.40) TBXAS1APPLMNATSHRNFKB1
SCHEMBL717246 1.00 TBXAS1 (0.40) TBXAS1APPLMNATSHRNFKB1
SCHEMBL21344 0.98 APP (0.39) TBXAS1APPLMNAEPHX2PTGS1
Ammonia Solution, Strong SCHEMBL828485 0.96 APP (0.38) TBXAS1APPLMNAEPHX2PTGS1
SCHEMBL11287302 0.96 TBXAS1 (0.40) TBXAS1APPLMNAEPHX2PTGS1
SCHEMBL22984 0.91 APP (0.41) TBXAS1APPLMNAPTGS1PDE4A
SCHEMBL9574853 0.89 APP (0.39) TBXAS1APPLMNAPTGS1PDE4A
Ammonia Solution, Strong SCHEMBL5050825 0.89 APP (0.39) TBXAS1APPLMNAPTGS1PDE4A
SCHEMBL15646946 0.89 APP (0.39) TBXAS1APPLMNAPTGS1PDE4A
SCHEMBL15859186 0.89 APP (0.39) TBXAS1APPLMNAPTGS1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835675-B2 Polymerizable phosphonic acid derivative and adhesive composition comprising the same KABUSHIKI KAISHA SHOFU (JP) 2014-09-16 US disclosed
US-20100069524-A1 Single-Component dental composition containing silane coupling agent and acidic group-containing polymerizable monomer KABUSHIKI KAISHA SHOFU 2010-03-18 US disclosed
US-20090048426-A1 POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2009-02-19 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 (2 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-20100069524-A1 Single-Component dental composition containing silane coupling agent and acidic group-containing polymerizable monomer CAD, ITGA1, CIB1 TBXAS1 3713/4885APP 2211/4885LMNA 2065/4885
US-20090048426-A1 POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME PTK2, ITGA1, ACTN1 TBXAS1 2727/4885APP 3296/4885LMNA 3699/4885

“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.