SCHEMBL12476100

SCHEMBL12476100

CCCCC(NC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.55
▸ MDM2 Q00987 4/20 0.52
▸ PTPN1 P18031 4/20 0.51
▸ MME P08473 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ GNPAT O15228 1/20 0.49
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL28615852 1.00 TLR2 (0.55) TLR2MDM2PTPN1MMEECE1
SCHEMBL12476097 1.00 TLR2 (0.55) TLR2MDM2PTPN1MMEECE1
SCHEMBL18683448 1.00 TLR2 (0.55) TLR2MDM2PTPN1MMEECE1
SCHEMBL23253745 0.94 TLR2 (0.52) TLR2MDM2PTPN1MDM4TP53
SCHEMBL27041569 0.91 TLR2 (0.49) TLR2MDM2PTPN1MDM4TP53
SCHEMBL27041543 0.91 TLR2 (0.49) TLR2MDM2PTPN1MDM4TP53
SCHEMBL1000115 0.91 TLR2 (0.62) TLR2MDM2MDM4TP53
SCHEMBL1044856 0.91 TLR2 (0.62) TLR2MDM2MDM4TP53
SCHEMBL29398487 0.91 TLR2 (0.62) TLR2MDM2MDM4TP53
SCHEMBL29382791 0.91 TLR2 (0.62) TLR2MDM2MDM4TP53

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-9968647-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2018-05-15 — — US disclosed
EP-3147367-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. Hoffmann-La Roche AG (CH) 2017-03-29 — — EP disclosed
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-01-26 — — US disclosed
CN-106117310-A Small molecule conjugates for Intracellular delivery bioactive compound 弗·哈夫曼-拉罗切有限公司 2016-11-16 — — CN disclosed
EP-2658981-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS HOFFMANN LA ROCHE (CH) 2016-09-28 — — EP disclosed
CN-103282502-B small molecule conjugates for intracellular delivery of biologically active compounds 弗·哈夫曼-拉罗切有限公司 2016-08-10 — — CN disclosed
EP-2658982-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
US-9301990-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE, INC. (US) 2016-04-05 — — US disclosed
CN-103282503-B Small molecule conjugates for intracellular delivery of nucleic acids F. HOFFMANN-LA ROCHE AG (CH) 2015-12-02 — — CN disclosed
US-9198947-B2 Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN-LA ROCHE INC. (US) 2015-12-01 — — US disclosed
CN-104328121-A Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN LA ROCHE 2015-02-04 — — CN disclosed
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN-LA ROCHE INC. (US) 2014-05-15 — — US disclosed
US-20140135381-A1 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-15 — — US disclosed
EP-2658981-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 — — EP disclosed
EP-2658982-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 — — EP disclosed
CN-103282503-A Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN LA ROCHE 2013-09-04 — — CN disclosed
CN-103282502-A Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN LA ROCHE 2013-09-04 — — CN disclosed
WO-2012089602-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 — — WO disclosed
WO-2012089352-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 — — 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-20140135381-A1 Small molecule conjugates for intracellular delivery of biologically active compounds SNRPE, PHAX, SNRPA TLR2 3166/4885MDM2 1070/4885PTPN1 3856/4885
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids SNRPE, PHAX, SNRPA TLR2 2499/4885MDM2 741/4885PTPN1 3985/4885
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS SNRPE, PHAX, SNRPA TLR2 3166/4885MDM2 1070/4885PTPN1 3856/4885

“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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