SCHEMBL13034679

SCHEMBL13034679

CN[C@@H](CS)C(=O)CN[C@@H](CS)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ANPEP P15144 1/20 0.32
▸ ENPEP Q07075 1/20 0.32
▸ ACE P12821 1/20 0.32

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
SCHEMBL16272862 0.81 KDM4E (0.32) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20706151 0.81 KDM4E (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2614011 0.81 — —
SCHEMBL13233684 0.81 — —
SCHEMBL13227961 0.81 — —
SCHEMBL15944837 0.79 ACE (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL15944838 0.79 ACE (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL15033316 0.76 KDM4E (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL15033264 0.74 — —
SCHEMBL15033258 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458202-B2 Peptidomimetic macrocycles with improved properties AILERON THERAPEUTICS, INC. (US) 2016-10-04 — — US disclosed
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. (US) 2010-11-25 — — US disclosed
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-08-26 — — US disclosed
US-20100184628-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2010-07-22 — — US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 — — US disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 — — US disclosed
US-20090088553-A1 Bis-Sulfhydryl Macrocyclization Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2009-04-02 — — US disclosed
US-20090047711-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS AILERON THERAPEUTICS, INC. (US) 2009-02-19 — — US 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 (7 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-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP KDM4E 4706/4885MAPT 3957/4885THRB 3313/4885
US-20090088553-A1 Bis-Sulfhydryl Macrocyclization Systems CBS, HLCS, CTH KDM4E 4482/4885MAPT 4024/4885THRB 2876/4885
US-20090047711-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS CBS, HLCS, CTH KDM4E 4482/4885MAPT 4024/4885THRB 2876/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 KDM4E 4405/4885MAPT 3425/4885THRB 4369/4885
US-20100184628-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS CBS, HLCS, CTH KDM4E 4482/4885MAPT 4024/4885THRB 2876/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 KDM4E 4707/4885MAPT 3018/4885THRB 3632/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 KDM4E 3489/4885MAPT 4252/4885THRB 3505/4885

“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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