SCHEMBL3936974

SCHEMBL3936974

O=C(O)CC(O)CCSCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.59
MMP12 P39900 5/20 0.51
MMP13 P45452 5/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP14 P50281 1/20 0.51
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 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
SCHEMBL4084668 0.89 CYP2C19 (0.54) CYP2C19MMP12MMP13MMP2MMP9
SCHEMBL5180234 0.87 FOLH1 (0.50) CYP2C19MMP12MMP13MMP2MMP9
SCHEMBL5178772 0.86 LMNA (0.48) CYP2C19MMP12MMP13MMP2MMP9
SCHEMBL5179571 0.83 CYP2C19 (0.53) CYP2C19MMP12MMP13MMP2MMP9
SCHEMBL7347761 0.82 CYP2C19 (0.57) CYP2C19MMP13MMP2MMP9ALDH1A1
SCHEMBL20395088 0.81 CYP2C19 (0.56) CYP2C19MMP13MMP2MMP9ALDH1A1
SCHEMBL24952 0.80 CYP2C19 (0.54) CYP2C19MMP12MMP13MMP2MMP9
SCHEMBL27548133 0.80 CYP2C19 (0.54) CYP2C19MMP13MMP2MMP9ALDH1A1
SCHEMBL723068 0.79 CYP2C19 (0.58) CYP2C19MMP13MMP2MMP9ALDH1A1
SCHEMBL687094 0.77 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262508-B1 Novel polyhydroxyalkanoate that comprises unit having substituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KK (JP) 2007-08-08 EP claimed
US-6911521-B2 Polyhydroxyalkanoate has a substituted or unsubstituted (phenylmethyl)sulfanyl structure on side chain of a unit hydroxyalkanoic acid, provides physical and chemical properties; culturing CANON KABUSHIKI KAISHA (JP) 2005-06-28 US claimed
US-20030096384-A1 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2003-05-22 US claimed
EP-1262508-A2 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2002-12-04 EP claimed
US-7615233-B2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
EP-1275378-B1 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KK (JP) 2009-04-15 EP disclosed
US-7425432-B2 Polyhydroxy alkanoate copolymer including within molecule unit having vinyl group or carboxyl group in side chain, and producing method therefor CANON KABUSHIKI KAISHA (JP) 2008-09-16 US disclosed
EP-1340776-B1 Polyhydroxyalkanoate and method for controlling molecular weight of polyhydroxyalkanoate constituted of units containing residue of phenyl-, thienyl-, or cyclohexyl-structure in side chain of molecule CANON KK (JP) 2008-02-06 EP disclosed
EP-1262508-B1 Novel polyhydroxyalkanoate that comprises unit having substituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KK (JP) 2007-08-08 EP disclosed
US-20060211100-A1 Novel polyhydroxy alkanoate copolymer including within molecule unit having vinyl group or carboxyl group in side chain, and producing method therefor CANON KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-7056708-B2 Method of producing polyhydroxyalkanoate from alkane having residue containing aromatic ring in its molecule CANON KABUSHIKI KAISHA (JP) 2006-06-06 US disclosed
EP-1367078-B1 Method of producing polyhydroxyalkanoate from alkane having residue containing aromatic ring in its molecule CANON KK (JP) 2006-04-19 EP disclosed
US-20030207412-A1 Method of producing polyhydroxyalkanoate from alkane having residue containing aromatic ring in its molecule CANON KABUSHIKI KAISHA (JP) 2003-11-06 US disclosed
US-20030194443-A1 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2003-10-16 US disclosed
EP-1340776-A1 Method for controlling molecular weight of polyhydroxyalkanoate constituted of units containing residue of phenyl-, thienyl-, or cyclohexyl-structure in side chain of molecule CANON KABUSHIKI KAISHA (JP) 2003-09-03 EP disclosed
US-20030109015-A1 Novel polyhydroxyalkanoate that comprises unit having (methylsulfanyl) phenoxy structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2003-06-12 US disclosed
US-20030096384-A1 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2003-05-22 US disclosed
EP-1275727-A2 Polyhydroxyalkanoate with (methylsulfanyl) phenoxy structure in side chain CANON KABUSHIKI KAISHA (JP) 2003-01-15 EP disclosed
EP-1275378-A2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2003-01-15 EP disclosed
EP-1262508-A2 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2002-12-04 EP 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-20030194443-A1 Particulate construct comprising polyhydroxyalkanoate and method for producing it SQLE, FDFT1, CYP51A1 CYP2C19 410/4885MMP12 2452/4885MMP13 3300/4885

“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.