SCHEMBL525558

SCHEMBL525558

NCCCCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
TLR2 O60603 4/20 0.46
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 2/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL28036073 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL524545 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL524835 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL3426738 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL3976225 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL25144 0.99 KMT2A (0.49) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL97613 0.95 KMT2A (0.50) KMT2ATLR2FABP5FABP7CA1
Succinic Acid SCHEMBL28760118 0.94 KMT2A (0.50) KMT2ATLR2FABP5FABP7HDAC1
Tetrahydrofuran SCHEMBL28301142 0.91 KMT2A (0.43) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL31658990 0.90 KMT2A (0.44) KMT2ATLR2FABP5FABP7HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598157-B1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION SANOFI SA (FR) 2016-10-12 EP disclosed
US-9073975-B2 Cyclic peptides, their preparation and their use as inhibitors of the platelet adhesion SANOFI (FR) 2015-07-07 US disclosed
US-20140011734-A1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION SANOFI (FR) 2014-01-09 US disclosed
EP-2598157-A1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION SANOFI (FR) 2013-06-05 EP disclosed
WO-2012013709-A1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION SANOFI (FR) 2012-02-02 WO disclosed
US-20050096456-A1 Compounds comprising pseudo-amino acids ADPRO TECH LIMITED (GB) 2005-05-05 US disclosed
EP-1487860-A1 COMPOUNDS COMPRISING PSEUDO-AMINO ACIDS AdProTech Limited (GB) 2004-12-22 EP disclosed
WO-2003080650-A1 COMPOUNDS COMPRISING PSEUDO-AMINO ACIDS ADPROTECH LIMITED (GB) 2003-10-02 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 (2 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-20140011734-A1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION F12, F11, F13B KMT2A 4818/4885TLR2 3514/4885FABP5 2630/4885
US-20050096456-A1 Compounds comprising pseudo-amino acids QPCTL, LNPEP, QPCT KMT2A 1913/4885TLR2 3811/4885FABP5 1589/4885

“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.