SCHEMBL9955558

SCHEMBL9955558

CCCC[C@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.60
ACE P12821 6/20 0.60
CPA1 P15085 6/20 0.60
ACE2 Q9BYF1 6/20 0.60
GNPAT O15228 1/20 0.54
FAAH O00519 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
MMP2 P08253 7/20 0.48
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 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
SCHEMBL9955555 1.00 MME (0.60) MMEACECPA1ACE2GNPAT
SCHEMBL1477244 0.93 MME (0.54) MMEACECPA1ACE2GNPAT
SCHEMBL8727951 0.93 MME (0.54) MMEACECPA1ACE2GNPAT
SCHEMBL6565110 0.90 GNPAT (0.53) MMEACECPA1ACE2GNPAT
SCHEMBL7033970 0.88 NPY4R (0.57) MMEACECPA1ACE2
SCHEMBL30555017 0.85 MME (0.60) MMEACECPA1ACE2GNPAT
SCHEMBL8213821 0.85 NPY4R (0.56) MMEACE
SCHEMBL8213819 0.85 NPY4R (0.56) MMEACE
SCHEMBL28249173 0.84 MME (0.57) MMEACECPA1ACE2GNPAT
SCHEMBL3382813 0.84 LTA4H (0.58) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618790-B2 Polypeptide-polynucleotide-complex and its use in targeted effector moiety delivery HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
EP-2655413-B1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY HOFFMANN LA ROCHE (CH) 2019-01-16 EP disclosed
EP-2867255-B1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
US-20150232560-A1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF HOFFMANN-LA ROCHE INC. (US) 2015-08-20 US disclosed
EP-2867255-A1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2015-05-06 EP disclosed
WO-2014001326-A1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2014-01-03 WO disclosed
US-20130344094-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY F. HOFFMANN-LA ROCHE AG (CH) 2013-12-26 US disclosed
EP-2655413-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY F.HOFFMANN-LA ROCHE AG (CH) 2013-10-30 EP disclosed
WO-2012085111-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY F. HOFFMANN-LA ROCHE AG (CH) 2012-06-28 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 (4 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-20130344094-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY PNKP, RNASE1, DCLRE1B MME 176/4885ACE 3178/4885CPA1 266/4885
US-20150232560-A1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF FCGR3B, VSIG8, CD47 MME 259/4885ACE 4325/4885CPA1 1861/4885
US-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY PNKP, RNASE1, DCLRE1B MME 176/4885ACE 3178/4885CPA1 266/4885
US-11618790-B2 Polypeptide-polynucleotide-complex and its use in targeted effector moiety delivery PNKP, RNASE1, DCLRE1B MME 176/4885ACE 3178/4885CPA1 266/4885

“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.