SCHEMBL13595602

SCHEMBL13595602

CNCC(=O)NC1C(O)OC(CO)C(O)C1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ PYGB P11216 7/20 0.49
▸ GAA P10253 1/20 0.49
▸ HK2 P52789 5/20 0.48
▸ HK1 P19367 4/20 0.48
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 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
SCHEMBL14000603 1.00 LMNA (0.56) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL29906478 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL15334409 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL28790741 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL15334407 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL24943581 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL15046974 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL18193284 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL17215084 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB
SCHEMBL29574842 0.87 PYGB (0.64) LMNAKDM4ECYP2D6CYP2C19PYGB

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-20090324489-A1 Wortmannin conjugates and uses thereof BETH ISRAEL DEACONESS MEDICAL CENTER 2009-12-31 — — 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-20090324489-A1 Wortmannin conjugates and uses thereof PIK3CG, PIK3C3, PIK3CA LMNA 4663/4885KDM4E 3978/4885CYP2D6 3366/4885

“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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