SCHEMBL1595033

SCHEMBL1595033

O=C(NCC(O)C(O)C(O)C(O)CO)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
EPHX2 P34913 1/20 0.47
CASP3 P42574 2/20 0.43
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
TLR2 O60603 3/20 0.40

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
SCHEMBL12703680 0.86 KMT2A (0.55) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31396078 0.83 KMT2A (0.43) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL18981796 0.83 KMT2A (0.43) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL38662522 0.82 TLR2 (0.62) KMT2ACASP3MDM4TP53TLR2
SCHEMBL27442611 0.82 TLR2 (0.62) KMT2ACASP3MDM4TP53TLR2
SCHEMBL3890833 0.82 KMT2A (0.45) KMT2AEPHX2CASP3TLR2
SCHEMBL892881 0.82 KMT2A (0.46) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL13984381 0.82 MDM4 (0.48) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL13010967 0.82 MDM4 (0.48) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL17830013 0.82 MDM4 (0.48) KMT2AEPHX2CASP3MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778613-B2 Affinity resin REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2014-07-15 US disclosed
US-8778613-B2 Affinity resin REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2014-07-15 US disclosed
US-8778613-B2 Affinity resin REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2014-07-15 US disclosed
US-7919653-B2 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2011-04-05 US disclosed
US-7919653-B2 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2011-04-05 US disclosed
US-7919653-B2 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2011-04-05 US disclosed
EP-2157429-A2 Method of inhibiting nonspecific interaction between molecules on solid phase support Reverse Proteomics Research Institute Co., Ltd (JP) 2010-02-24 EP disclosed
EP-2110393-A1 Affinity resin Reverse Proteomics Research Institute Co., Ltd (JP) 2009-10-21 EP disclosed
US-20070167594-A1 Affinity resin REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD (JP) 2007-07-19 US disclosed
US-20070167594-A1 Affinity resin REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD (JP) 2007-07-19 US disclosed
US-20060177943-A1 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2006-08-10 US disclosed
EP-1674486-A1 AFFINITY RESIN Reverse Proteomics Research Institute Co., Ltd (JP) 2006-06-28 EP disclosed
EP-1553412-A1 METHOD OF INHIBITING NONSPECIFIC INTERACTION BETWEEN MOLECULES ON SOLID PHASE SUPPORT Reverse Proteomics Research Institute Co., Ltd (JP) 2005-07-13 EP 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-20070167594-A1 Affinity resin FCGR2A, FCGR1A, CD14 KMT2A 887/4885EPHX2 2747/4885CASP3 4877/4885
US-20060177943-A1 Method of inhibiting nonspecific interaction between molecules on solid phase support CD2BP2, CD14, SPR KMT2A 3769/4885EPHX2 2680/4885CASP3 4883/4885

“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.