SCHEMBL12475809

SCHEMBL12475809

O=C(O)CC(Cc1ccc(F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.53
MME P08473 5/20 0.48
MMEL1 Q495T6 1/20 0.47
KMT2A Q03164 2/20 0.47
MDM4 O15151 2/20 0.46
TP53 P04637 2/20 0.46
MDM2 Q00987 1/20 0.46
PTPN1 P18031 1/20 0.42

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
SCHEMBL12475805 1.00 CASP3 (0.53) CASP3MMEMMEL1KMT2AMDM4
SCHEMBL16397970 1.00 CASP3 (0.53) CASP3MMEMMEL1KMT2AMDM4
SCHEMBL3207886 0.92 CASP3 (0.57) CASP3MMEMMEL1KMT2AMDM4
SCHEMBL29400834 0.92 CASP3 (0.57) CASP3MMEMMEL1KMT2AMDM4
SCHEMBL33377860 0.92 CASP3 (0.57) CASP3MMEMMEL1KMT2AMDM4
SCHEMBL119383 0.92 CASP3 (0.57) CASP3MMEMMEL1KMT2AMDM4
SCHEMBL119394 0.92 CASP3 (0.57) CASP3MMEMMEL1KMT2AMDM4
SCHEMBL16397430 0.90 CASP3 (0.45) CASP3KMT2AMDM4TP53MDM2
SCHEMBL18683245 0.90 CASP3 (0.47) CASP3MMEMMEL1KMT2AMDM4
SCHEMBL15674221 0.89 CASP3 (0.53) CASP3MMEMMEL1KMT2AMDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117310-B Small molecule conjugates for intracellular delivery of biologically active compounds 弗·哈夫曼-拉罗切有限公司 2021-04-06 CN disclosed
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
EP-2658981-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS HOFFMANN LA ROCHE (CH) 2016-09-28 EP 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
US-9198947-B2 Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN-LA ROCHE INC. (US) 2015-12-01 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
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids 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
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 CASP3 3896/4885MME 2062/4885MMEL1 576/4885
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids SNRPE, PHAX, SNRPA CASP3 4247/4885MME 2382/4885MMEL1 1345/4885
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS SNRPE, PHAX, SNRPA CASP3 3896/4885MME 2062/4885MMEL1 576/4885

“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.