SCHEMBL16128284

SCHEMBL16128284

N[C@@H](Cc1ccc(O)cc1)C(=O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ SLC7A5 Q01650 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ FABP5 Q01469 3/20 0.43
▸ FABP7 O15540 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.41
▸ TYR P14679 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL16128286 0.91 FABP5 (0.48) KMT2ASLC7A5EPHX2FABP5FABP7
SCHEMBL29392800 0.91 FABP5 (0.48) KMT2ASLC7A5EPHX2FABP5FABP7
SCHEMBL29823700 0.84 PPARG (0.39) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29966663 0.81 KMT2A (0.51) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL15318692 0.81 KMT2A (0.51) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29510568 0.80 KMT2A (0.47) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL16128277 0.80 CASP3 (0.50) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL14416228 0.80 KMT2A (0.47) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29823514 0.79 KMT2A (0.46) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29493719 0.78 SLC7A5 (0.57) KMT2ASLC7A5HDAC8TYR

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
US-20160333050-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 — — US disclosed
US-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 — — US disclosed
US-9376467-B2 Cross-linked peptides containing non-peptide cross-linked structure, method for synthesizing cross-linked peptides, and novel organic compound used in method JITSUBO CO., LTD. (JP) 2016-06-28 — — US disclosed
US-9365615-B2 Cross-linked peptides containing non-peptide cross-linked structure, method for synthesizing cross-linked peptides, and novel organic compound used in method JITSUBO CO., LTD. (JP) 2016-06-14 — — US disclosed
WO-2016077518-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
WO-2015061733-A1 DIAGNOSTIC METHODS FOR PAR4 ANTAGONIST THERAPY BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-04-30 — — WO disclosed
US-20150073121-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2015-03-12 — — US disclosed
WO-2014151634-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 — — 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 (3 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-20160333050-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 KMT2A 3705/4885SLC7A5 2272/4885EPHX2 865/4885
US-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 KMT2A 3705/4885SLC7A5 2272/4885EPHX2 865/4885
US-20150073121-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 KMT2A 3705/4885SLC7A5 2272/4885EPHX2 865/4885

“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.

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