SCHEMBL21645472

SCHEMBL21645472

CC(C)(C)OC(=O)N[C@@H](CCCCCC(=O)c1ncco1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.48
HDAC3 O15379 12/20 0.47
HDAC4 P56524 12/20 0.47
HDAC1 Q13547 12/20 0.47
HDAC7 Q8WUI4 12/20 0.47
HDAC2 Q92769 12/20 0.47
HDAC10 Q969S8 12/20 0.47
HDAC11 Q96DB2 12/20 0.47
HDAC8 Q9BY41 12/20 0.47
HDAC6 Q9UBN7 12/20 0.47
HDAC9 Q9UKV0 12/20 0.47
HDAC5 Q9UQL6 12/20 0.47
CES1 P23141 2/20 0.47
NCEH1 Q6PIU2 1/20 0.47
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
C3AR1 Q16581 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
SCHEMBL21645474 1.00 FAAH (0.48) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5127855 0.90 FAAH (0.48) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL4409723 0.77 CTSK (0.49) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL19668435 0.77 CTSK (0.49) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL31072330 0.77 CTSK (0.49) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL14150791 0.77 CTSK (0.56) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL6745774 0.77 CTSK (0.56) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL25277595 0.77 ITGB3 (0.51) HDAC8ITGB3ITGA2B
SCHEMBL30801969 0.77 ITGB3 (0.51) HDAC8ITGB3ITGA2B
SCHEMBL21645736 0.76 FAAH (0.45) FAAHHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
EP-3829559-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-06-09 EP disclosed
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 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 (2 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-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 FAAH 2340/4885HDAC3 4/4885HDAC4 9/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 FAAH 2340/4885HDAC3 4/4885HDAC4 9/4885

“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.