SCHEMBL14520983

SCHEMBL14520983

NCC(=O)NC1[C@H](O)OC(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HK2 P52789 5/20 0.50
▸ HK1 P19367 4/20 0.50
▸ PYGB P11216 7/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL24141320 1.00 LMNA (0.55) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL23616242 1.00 LMNA (0.55) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL18467702 0.86 LMNA (0.57) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL12190147 0.86 LMNA (0.57) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL22552555 0.86 LMNA (0.57) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL29532523 0.86 LMNA (0.57) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL15965658 0.86 LMNA (0.57) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL15966274 0.86 LMNA (0.57) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL18390833 0.84 PYGB (0.45) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL23880301 0.83 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19HK2

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-20070082851-A1 Treatment of a condition in a mammal with administration of Compounds and Methods of Use OPTIMER PHARMACEUTICALS INC. (US) 2007-04-12 — — US disclosed
US-20070082851-A1 Treatment of a condition in a mammal with administration of Compounds and Methods of Use OPTIMER PHARMACEUTICALS INC. (US) 2007-04-12 — — 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-20070082851-A1 Treatment of a condition in a mammal with administration of Compounds and Methods of Use AADAT, MMP1, MMP13 LMNA 2485/4885KDM4E 2768/4885CYP2D6 2641/4885

“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.

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