SCHEMBL2685389

SCHEMBL2685389

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)cc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.57
▸ CTSS P25774 10/20 0.56
▸ CTSK P43235 9/20 0.56
▸ CTSB P07858 4/20 0.56
▸ CTSL P07711 3/20 0.56
▸ ACE P12821 1/20 0.52
▸ AKT1 P31749 1/20 0.50
▸ REN P00797 1/20 0.48
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46

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
SCHEMBL2685388 1.00 HDAC8 (0.57) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL2685894 0.86 CTSS (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL6554841 0.86 CTSL (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL2685893 0.86 CTSS (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL28773022 0.85 HDAC8 (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL30134871 0.85 HDAC8 (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL6557031 0.85 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL30134897 0.85 HDAC8 (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL2685172 0.85 HDAC8 (0.46) HDAC8HDAC4HDAC1
SCHEMBL2683575 0.84 HDAC8 (0.57) HDAC8CTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 — — US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 — — US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 — — US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 — — US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 — — US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 — — WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 — — 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 (1 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A HDAC8 2147/4885CTSS 3372/4885CTSK 3300/4885

“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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