SCHEMBL4076327

SCHEMBL4076327

CCC(O)C(C(=O)O)C(=O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 2/20 0.50
CYP2D6 P10635 1/20 0.50
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
KEAP1 Q14145 1/20 0.49
DAO P14920 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL3959724 0.80 DAO (0.52) CYP2C9CYP2C19TSHRCYP2D6CES2
SCHEMBL81393 0.80 CYP2C9 (0.55) CYP2C9CYP2C19TSHRCYP2D6CES2
SCHEMBL3197028 0.76 TSHR (0.58) CYP2C9CYP2C19TSHRCYP2D6CES2
SCHEMBL8298426 0.73 TSHR (0.55) CYP2C9CYP2C19TSHRCYP2D6CES2
SCHEMBL3839189 0.73 DAO (0.55) CYP2C9CYP2C19TSHRCYP2D6CES2
Hydrochloric Acid SCHEMBL4126481 0.72 TSHR (0.54) CYP2C9CYP2C19TSHRCYP2D6CES2
SCHEMBL14490190 0.72 CES2 (0.61) CYP2C9CYP2C19TSHRCYP2D6CES2
SCHEMBL29077328 0.72 CES2 (0.61) CYP2C9CYP2C19TSHRCYP2D6CES2
SCHEMBL5179085 0.72 TSHR (0.53) CYP2C9CYP2C19TSHRCYP2D6CES2
SCHEMBL26056789 0.72 CES2 (0.66) CYP2C9CYP2C19TSHRCYP2D6CES2

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-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
US-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response CANON KABUSHIKI KAISHA (JP) 2006-11-23 US disclosed
WO-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO 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-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response SKP1, HAMP, AUP1 CYP2C9 1804/4885CYP2C19 608/4885TSHR 2992/4885

“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.