SCHEMBL7326541

SCHEMBL7326541

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ MDM2 Q00987 1/20 0.48
▸ IDO1 P14902 1/20 0.47
▸ PTPN1 P18031 3/20 0.46
▸ TLR2 O60603 3/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45

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
SCHEMBL28624889 1.00 KMT2A (0.49) KMT2AMDM2IDO1PTPN1TLR2
SCHEMBL28627067 1.00 KMT2A (0.49) KMT2AMDM2IDO1PTPN1TLR2
SCHEMBL29586109 1.00 KMT2A (0.49) KMT2AMDM2IDO1PTPN1TLR2
SCHEMBL29989986 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL5323666 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL29792137 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL29350883 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL1709129 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL30074491 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL29591196 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3

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-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-12-09 — — US disclosed
CN-113286617-A Pyrrolobenzodiazepine conjugates 免疫医疗有限公司 2021-08-20 — — CN disclosed
US-20200407712-A1 ARRAY-BASED CYCLIC PEPTIDE LIBRARIES Cowper Sciences Inc. 2020-12-31 — — US disclosed
EP-3749676-A1 ARRAY-BASED CYCLIC PEPTIDE LIBRARIES Healthtell Inc. (US) 2020-12-16 — — EP disclosed
WO-2020079229-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-23 — — WO disclosed
WO-2019157362-A1 ARRAY-BASED CYCLIC PEPTIDE LIBRARIES HEALTHTELL INC. (US) 2019-08-15 — — WO disclosed
US-5721210-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS OR INTEGRIN RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-02-24 — — US disclosed
EP-0677060-A1 PEPTIDE INHIBITORS OF CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1995-10-18 — — EP disclosed
WO-1994015958-A2 PEPTIDE INHIBITORS OF CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1994-07-21 — — WO disclosed
EP-0538399-A4 — — 1994-05-04 — — EP disclosed
EP-0538399-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1993-04-28 — — EP disclosed
US-5192746-A Cyclized integrin receptor antagonist compounds including adhesion to fibronectins, oligopeptides TANABE SEIYAKU CO., LTD. (JP) 1993-03-09 — — US disclosed
WO-1992000995-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO. LTD. (JP) 1992-01-23 — — 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 (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-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES PRLHR, GLRA1, CXCR1 KMT2A 1835/4885MDM2 3118/4885IDO1 1011/4885

“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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