SCHEMBL3382819

SCHEMBL3382819

CSCCC(N)C(=O)N(C=O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
FNTA P49354 7/20 0.42
FNTB P49356 7/20 0.42
PGGT1B P53609 6/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL9955563 0.84 ALPI (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL83022 0.84 ANPEP (0.35) FNTAFNTBPGGT1BKMT2A
SCHEMBL907397 0.84 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL2213322 0.82 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL2213310 0.82 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL9516223 0.81 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10870312 0.81 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1128048 0.79 ANPEP (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1394213 0.79 SLC7A5 (0.38) SLC7A5
SCHEMBL154435 0.78 FNTA (0.34) FNTAFNTBPGGT1BKMT2A

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
EP-1814558-B1 METHODS AND COMPOSITIONS FOR REDUCING NEURODEGENERATION IN AMYOTROPHIC LATERAL SCLEROSIS YOO SEO HONG (US) 2010-12-15 EP claimed
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
CN-104395340-B9 Methods of customizing selective and multispecific therapeutic molecules comprising at least two different targeting entities and uses thereof 弗·哈夫曼-拉罗切有限公司 2018-11-30 CN disclosed
CN-104395340-B Include the method and application thereof of at least two different target stereotropic customization selectivity and polyspecific treatment molecule 弗·哈夫曼-拉罗切有限公司 2018-10-02 CN 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
CN-104395340-A 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 2015-03-04 CN 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.