SCHEMBL10177100

SCHEMBL10177100

COc1ccc(C2(O)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](C)[C@H]2OCc2ccccc2)cc1C1OCCO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.33
PTPN1 P18031 4/20 0.32
NT5E P21589 1/20 0.31
OPRM1 P35372 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
BACE1 P56817 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CDC25B P30305 2/20 0.30
FKBP1A P62942 1/20 0.30
TACR2 P21452 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN11 Q06124 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR2 P30874 1/20 0.30

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
SCHEMBL18521910 1.00 GJB2 (0.33) GJB2PTPN1NT5EOPRM1BCHE
SCHEMBL16727619 0.93 GJB2 (0.33) GJB2PTPN1NT5EBCHEACHE
SCHEMBL10328080 0.93 GJB2 (0.33) GJB2PTPN1NT5EBCHEACHE
SCHEMBL14617864 0.93 GJB2 (0.33) GJB2PTPN1NT5EBCHEACHE
SCHEMBL18511211 0.93 PTPN1 (0.35) GJB2PTPN1NT5EBCHEACHE
SCHEMBL2089094 0.93 PTPN1 (0.35) GJB2PTPN1NT5EBCHEACHE
SCHEMBL18521911 0.77 EDNRA (0.35) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL2087673 0.76 ERN1 (0.39) PTPN1NT5ECDC25BTACR2PTPN2
SCHEMBL14617865 0.76 ERN1 (0.38) PTPN1NT5ECDC25BFKBP1ATACR2
SCHEMBL10328199 0.76 ERN1 (0.38) PTPN1NT5ECDC25BFKBP1ATACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 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 (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-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 GJB2 2634/4885PTPN1 723/4885NT5E 1435/4885

“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.