SCHEMBL13742863

SCHEMBL13742863

CC1OC(CO)C(O)C(O)C1NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PYGB P11216 7/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 2/20 0.38
HK2 P52789 2/20 0.38
HK1 P19367 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL18390802 0.85 KDM4E (0.42) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL30019948 0.84 LMNA (0.54) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL1673868 0.84 LMNA (0.54) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL1673864 0.84 LMNA (0.54) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL3966078 0.84 LMNA (0.54) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL18412154 0.82 PYGB (0.42) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL17400176 0.81 ALDH1A1 (0.56) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL12295742 0.81 ALDH1A1 (0.56) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL13773326 0.81 ALDH1A1 (0.56) KDM4ELMNACYP2D6CYP2C19PYGB
SCHEMBL20626631 0.81 ALDH1A1 (0.56) KDM4ELMNACYP2D6CYP2C19PYGB

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-20090215710-A1 CARBOHYDRATE BASED TOLL-LIKE RECEPTOR (TLR) ANTAGONISTS RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-08-27 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-20090215710-A1 CARBOHYDRATE BASED TOLL-LIKE RECEPTOR (TLR) ANTAGONISTS TLR4, TLR1, TLR2 KDM4E 2402/4885LMNA 4669/4885CYP2D6 3144/4885

“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.