SCHEMBL5879211

SCHEMBL5879211

CC(=O)OC[C@H]1O[C@@H](n2cc(C3CC(=O)N(C)C3=O)c3cccnc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKCA P17252 2/20 0.42
AKT1 P31749 2/20 0.42
PTK2 Q05397 2/20 0.42
TGM2 P21980 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
HIF1A Q16665 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 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
SCHEMBL5879130 0.78 LMNA (0.45) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6197547 0.78 LMNA (0.47) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL5827541 0.75 LMNA (0.47) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL5828932 0.74 LMNA (0.45) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6081330 0.74 LMNA (0.42) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL5828426 0.73 PTGS2 (0.43) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL5828429 0.73 LMNA (0.41) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6080768 0.70 TGM2 (0.42) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6080408 0.69 ALDH1A1 (0.41) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL5828229 0.69 PTGS2 (0.45) ALDH1A1MAPTLMNATP53TDP1

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-7151108-B2 Anticarcinogenic, antiproliferative, and antitumor agents LES LABORATORIES SERVIER (FR) 2006-12-19 US disclosed
US-20040077672-A1 Anticarcinogenic, antiproliferative, and antitumor agents LES LABORATOIRES SERVIER (FR) 2004-04-22 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-20040077672-A1 Anticarcinogenic, antiproliferative, and antitumor agents XDH, TOP2A, TOP1 ALDH1A1 286/4885MAPT 4563/4885LMNA 2392/4885

“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.