SCHEMBL9955563

SCHEMBL9955563

CCCCC(N)C(=O)N(C=O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CTSK P43235 7/20 0.43
CTSL P07711 3/20 0.42
CTSB P07858 3/20 0.42
CTSH P09668 2/20 0.42
CSNK1E P49674 1/20 0.41
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GRIK1 P39086 1/20 0.39
CNR2 P34972 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
SCHEMBL3382819 0.84 ALPI (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9516223 0.82 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10870312 0.82 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
Norleucine SCHEMBL1568566 0.80 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
Norleucine SCHEMBL1568573 0.80 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7999637 0.79 ANPEP (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7907904 0.79 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8727965 0.78 CTSK (0.35) CTSKCTSLCTSBCTSHSLC1A3
SCHEMBL7451833 0.77 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL30517407 0.76 MME (0.46)

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 ALPI 2416/4885PKM 1840/4885PTGS1 4661/4885
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 ALPI 3322/4885PKM 4646/4885PTGS1 4856/4885
US-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY PNKP, RNASE1, DCLRE1B ALPI 2416/4885PKM 1840/4885PTGS1 4661/4885
US-11618790-B2 Polypeptide-polynucleotide-complex and its use in targeted effector moiety delivery PNKP, RNASE1, DCLRE1B ALPI 2416/4885PKM 1840/4885PTGS1 4661/4885

“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.