SCHEMBL6282567

SCHEMBL6282567

O=C(O)CC(O)CCCSc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.45
PTGFR P43088 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.39
MMP12 P39900 4/20 0.39
MMP13 P45452 4/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FBP1 P09467 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3862984 0.91 PTGER1 (0.44) PTGER1PTGFRPTGER3PTGER2HPGD
SCHEMBL6282249 0.82 PTGER1 (0.51) PTGER1PTGFRPTGER3PTGER2HPGD
SCHEMBL4339780 0.79 ALDH1A1 (0.56) PTGER1PTGFRPTGER3PTGER2HPGD
SCHEMBL3867561 0.77 HPGD (0.53) PTGER1PTGFRPTGER3PTGER2HPGD
SCHEMBL6278596 0.76 HPGD (0.55) PTGER1PTGFRPTGER3PTGER2HPGD
SCHEMBL5717731 0.75 HPGD (0.47) PTGER1PTGFRPTGER3PTGER2HPGD
SCHEMBL5180169 0.75 NPC1 (0.48) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5725708 0.74 NPC1 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3947072 0.73 ALDH1A1 (0.57) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5179086 0.72 HPGD (0.63) HPGDMAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861496-B2 Polyhydroxyalkonoate and method of producing same, and ω-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2005-03-01 US disclosed
EP-1236754-B1 Polyhydroxyalkanoate and method of producing the same, and omega-(2-thienylsulfanyl)alkanoic acid and method of producing the same CANON KK (JP) 2004-04-28 EP disclosed
US-20040062811-A1 Polyhydroxyalkonoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA 2004-04-01 US disclosed
US-6686439-B2 POLYHYDROXYALKANOATE FOR USE IN CULTURING MICROORGANISMS CANON KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20020164726-A1 Polyhydroxyalkanoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2002-11-07 US disclosed
EP-1236754-A2 Polyhydroxyalkanoate and method of producing same, and omega-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2002-09-04 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-20040062811-A1 Polyhydroxyalkonoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same HACL2, PAH, TST PTGER1 1756/4885PTGFR 1238/4885PTGER3 2614/4885

“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.