SCHEMBL1316508

SCHEMBL1316508

O=C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
TACR2 P21452 3/20 0.36
NT5E P21589 1/20 0.36
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSF Q9UBX1 1/20 0.34
IDO1 P14902 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTPN1 P18031 2/20 0.34
HTR1A P08908 1/20 0.34
CDC25B P30305 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN11 Q06124 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
SCHEMBL5178715 0.76 PDE4D (0.41) BCHEACHETACR2NT5EPDE4D
SCHEMBL30284435 0.76 LMNA (0.42) LMNABCHEACHETACR2NT5E
SCHEMBL30901679 0.76 LMNA (0.42) LMNABCHEACHETACR2NT5E
SCHEMBL18797803 0.76 LMNA (0.42) LMNABCHEACHETACR2NT5E
SCHEMBL18797789 0.76 LMNA (0.42) LMNABCHEACHETACR2NT5E
SCHEMBL23278051 0.76 LMNA (0.42) LMNABCHEACHETACR2NT5E
SCHEMBL18815488 0.76 LMNA (0.42) LMNABCHEACHETACR2NT5E
SCHEMBL18816735 0.76 LMNA (0.42) LMNABCHEACHETACR2NT5E
SCHEMBL14817052 0.75 LMNA (0.41) LMNABCHEACHETACR2NT5E
SCHEMBL24168933 0.75 LMNA (0.41) LMNABCHEACHETACR2NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275703-A1 SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-10 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-20110275703-A1 SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES SLC5A1, OR10J3, AKR1C3 LMNA 3745/4885BCHE 3589/4885ACHE 3750/4885

“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.