SCHEMBL557513

SCHEMBL557513

CCOC(=O)CC(=O)CSC(=S)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
CYP2D6 P10635 1/20 0.61
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
MAPT P10636 6/20 0.44
KMT2A Q03164 4/20 0.43
PKM P14618 2/20 0.43

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
SCHEMBL578887 0.85 ALDH1A1 (0.72) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL11863719 0.85 ALDH1A1 (0.45) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL14865008 0.84 ALDH1A1 (0.70) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL557758 0.82 ALDH1A1 (0.68) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL13433476 0.81 ALDH1A1 (0.66) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL20520533 0.79 ALDH1A1 (0.63) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL12728436 0.77 ALDH1A1 (0.56) ALDH1A1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL25625650 0.76 GAA (0.48) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL10021922 0.76 ALDH1A1 (0.70) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL3412115 0.76 ALDH1A1 (1.00) ALDH1A1CYP2D6GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417151-B1 CYCLIC PEPTIDES WITH AN ANTI-PARASITIC ACTIVITY UNIV GRENOBLE 1 (FR) 2016-09-14 EP disclosed
US-9133237-B2 Cyclic peptides with an anti-parasitic activity UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2015-09-15 US disclosed
US-9133237-B2 Cyclic peptides with an anti-parasitic activity UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2015-09-15 US disclosed
US-9133237-B2 Cyclic peptides with an anti-parasitic activity UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2015-09-15 US disclosed
US-20120034593-A1 CYCLIC PEPTIDES WITH AN ANTI-PARASITIC ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-02-09 US disclosed
US-20120034593-A1 CYCLIC PEPTIDES WITH AN ANTI-PARASITIC ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-02-09 US disclosed
US-20120034593-A1 CYCLIC PEPTIDES WITH AN ANTI-PARASITIC ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-02-09 US disclosed
WO-2010116085-A1 CYCLIC PEPTIDES WITH AN ANTI-PARASITIC ACTIVITY UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2010-10-14 WO disclosed
US-4034090-A ANTIBACTERIAL RHONE-POULENC INDUSTRIES (FR) 1977-07-05 US disclosed
US-3969342-A BACTERICIDE RHONE-POULENC INDUSTRIES (FR) 1976-07-13 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-20120034593-A1 CYCLIC PEPTIDES WITH AN ANTI-PARASITIC ACTIVITY VIP, NGLY1, QPCT ALDH1A1 4453/4885CYP2D6 4293/4885GAA 1502/4885

“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.