SCHEMBL5879007

SCHEMBL5879007

CC(=O)O[C@H]1[C@H](n2ccccc2=O)O[C@@](COCc2ccccc2)(COS(=O)(=O)c2ccc(C)cc2)[C@H]1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
ALDH1A1 P00352 6/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
MMP15 P51511 1/20 0.32
MMP16 P51512 1/20 0.32
MMP26 Q9NRE1 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 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
SCHEMBL1097608 0.84 LMNA (0.35) ELANEALDH1A1SMN1; SMN2LMNACA1
SCHEMBL5696087 0.84 LMNA (0.35) ELANEALDH1A1SMN1; SMN2LMNACA1
SCHEMBL1054675 0.82 TDP1 (0.34) ELANEALDH1A1GAAPKM
SCHEMBL1058381 0.80 TK1 (0.37)
SCHEMBL1097419 0.80 ELANE (0.34) ELANEALDH1A1GAAPKMSMN1; SMN2
SCHEMBL1060591 0.78 POLB (0.38) ALDH1A1
SCHEMBL20394055 0.77 TK1 (0.37)
SCHEMBL20394057 0.77 TK1 (0.37)
SCHEMBL28749276 0.77 TK1 (0.37)
SCHEMBL1097107 0.77 TK1 (0.37) ELANEALDH1A1SMN1; SMN2

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-7053199-B2 Nucleoside analogs and oligonucleotide derivatives containing these analogs Imanishi, Takeshi (JP) 2006-05-30 US disclosed
US-20040192918-A1 Novel nucleoside analogs and oligonucleotide derivatives containing these analogs IMANISHI, TAKESHI (JP) 2004-09-30 US disclosed
EP-1314734-A1 NOVEL NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE DERIVATIVES CONTAINING THESE ANALOGS Imanishi, Takeshi (JP) 2003-05-28 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-20040192918-A1 Novel nucleoside analogs and oligonucleotide derivatives containing these analogs DCLRE1B, POLB, POLR1E ELANE 2773/4885ALDH1A1 1636/4885GAA 847/4885

“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.