SCHEMBL1009859

SCHEMBL1009859

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.56
TDP1 Q9NUW8 1/20 0.55
CASP3 P42574 2/20 0.49
CASP1 P29466 1/20 0.49
CASP2 P42575 1/20 0.49
CASP7 P55210 1/20 0.49
CASP8 Q14790 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR1 P21554 2/20 0.47
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSAB1 Q15661 1/20 0.46
CAPN1 P07384 2/20 0.46

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
SCHEMBL30983347 0.94 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL19514702 0.94 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL30341710 0.94 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL30918604 0.94 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL9169411 0.94 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL31003995 0.94 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL12372459 0.94 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL9175340 0.93 FOLH1 (0.59) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL31004008 0.89 FOLH1 (0.69) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL30302185 0.89 FOLH1 (0.69) FOLH1TDP1CASP3CASP1CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-03-29 US disclosed
US-20210106677-A1 VACCINE DEVELOPMENT METHODOLOGY BASED ON AN ADHESION MOLECULE MATSFIDE, INC. (US) 2021-04-15 US disclosed
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-01-07 US disclosed
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2020-12-29 US disclosed
US-10646502-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY (US) 2020-05-12 US disclosed
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-08-29 US disclosed
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-05-21 US disclosed
US-9884070-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-02-06 US disclosed
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US disclosed
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US disclosed
EP-2268654-B1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH UNIV CALIFORNIA (US) 2017-01-25 EP disclosed
US-8536133-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC. (US) 2013-09-17 US disclosed
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH U.S. DEPARTMENT OF ENERGY 2011-06-16 US disclosed
EP-2268654-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH The Regents of the University of California (US) 2011-01-05 EP disclosed
US-20100184702-A1 Selective High-Affinity Polydentate Ligands and Methods of Making Such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC 2010-07-22 US disclosed
US-7662785-B2 Selective high affinity polydentate ligands and methods of making such THE REGENTS OF CALIFORNIA (US) 2010-02-16 US disclosed
WO-2009132020-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 WO disclosed
US-20060084115-A1 Selective high affinity polydentate ligands and methods of making such THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-04-20 US disclosed
WO-2005077065-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-08-25 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 (10 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-10646502-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-20100184702-A1 Selective High-Affinity Polydentate Ligands and Methods of Making Such CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A FOLH1 952/4885TDP1 4449/4885CASP3 4820/4885

“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.