SCHEMBL381757

SCHEMBL381757

COC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N(Cc1ccc(OC)cc1)C(=O)N2Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PPARG P37231 2/20 0.38
NR2E3 Q9Y5X4 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
CMA1 P23946 1/20 0.37
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
HDAC1 Q13547 1/20 0.36
PTGS1 P23219 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
SCHEMBL903551 0.94 TDP1 (0.38) TDP1MEN1KMT2AALDH1A1CYP11B1
SCHEMBL15130508 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL903550 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1CYP11B1CYP11B2
SCHEMBL903557 0.85 MEN1 (0.34) TDP1MEN1KMT2AALDH1A1CYP11B1
SCHEMBL10047699 0.83 TDP1 (0.41) TDP1MEN1KMT2AALDH1A1CYP11B1
SCHEMBL381481 0.83 TDP1 (0.51) TDP1MEN1KMT2AALDH1A1CYP11B1
SCHEMBL10047677 0.83 TDP1 (0.41) TDP1MEN1KMT2AALDH1A1CYP11B1
SCHEMBL25672867 0.80 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4E
SCHEMBL25672991 0.80 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4E
SCHEMBL15123511 0.79 MEN1 (0.36) TDP1MEN1KMT2AALDH1A1PPARG

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 5 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
EP-2408783-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES University Of Nottingham (GB) 2012-01-25 EP disclosed
WO-2010106347-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES UNIVERSITY OF NOTTINGHAM (GB) 2010-09-23 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 TDP1 4155/4885MEN1 3269/4885KMT2A 4157/4885

“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.