SCHEMBL903550

SCHEMBL903550

COc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)[C@H]3CS[C@@H](CCCCCO)[C@H]32)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CMA1 P23946 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35

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
SCHEMBL381757 0.87 TDP1 (0.42) MEN1KMT2AALDH1A1CMA1PTGS1
SCHEMBL15130508 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1CMA1KDM4E
SCHEMBL903551 0.84 TDP1 (0.38) MEN1KMT2AALDH1A1CYP11B1CYP11B2
SCHEMBL903558 0.83 MEN1 (0.39) MEN1KMT2AALDH1A1CMA1PTGS1
SCHEMBL15130519 0.80 MEN1 (0.37) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL15123509 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4E
SCHEMBL15123511 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4E
SCHEMBL15123507 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4E
SCHEMBL903557 0.79 MEN1 (0.34) MEN1KMT2AALDH1A1CYP11B1CYP11B2
SCHEMBL15130510 0.77 ALDH1A1 (0.33) MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190268-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY SANOFI (FR) 2013-07-25 US disclosed
US-20130190268-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY SANOFI (FR) 2013-07-25 US disclosed
WO-2012042123-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY SANOFI (FR) 2012-04-05 WO 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-20130190268-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY BTD, FGB, F13B MEN1 3269/4885KMT2A 4157/4885ALDH1A1 2412/4885

“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.