SCHEMBL23788904

SCHEMBL23788904

C=CC[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccccc2F)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 2/20 0.49
HDAC1 Q13547 6/20 0.43
HDAC3 O15379 5/20 0.43
HDAC2 Q92769 5/20 0.43
NCOR1 O75376 4/20 0.43
HDAC8 Q9BY41 3/20 0.43
MAPT P10636 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PTPN1 P18031 2/20 0.36
F11 P03951 1/20 0.36
S1PR3 Q99500 1/20 0.36
CCKAR P32238 2/20 0.36
CCKBR P32239 2/20 0.36
SCN9A Q15858 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
IDO1 P14902 1/20 0.34
PTPRB P23467 1/20 0.34

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
SCHEMBL30194095 0.89 SSTR3 (0.49) SSTR3HDAC1HDAC3HDAC2NCOR1
SCHEMBL29053515 0.89 SSTR3 (0.49) SSTR3HDAC1HDAC3HDAC2NCOR1
SCHEMBL21645550 0.85 HDAC1 (0.45) SSTR3HDAC1HDAC3HDAC2NCOR1
SCHEMBL18690079 0.80 SSTR3 (0.42) SSTR3HDAC1MAPTCTSSCTSK
SCHEMBL1351513 0.78 SSTR3 (0.43) SSTR3HDAC1HDAC3HDAC2NCOR1
SCHEMBL1351515 0.78 SSTR3 (0.43) SSTR3HDAC1HDAC3HDAC2NCOR1
SCHEMBL29053532 0.78 F11 (0.46) SSTR3HDAC1HDAC3HDAC2HDAC8
SCHEMBL615697 0.78 F11 (0.46) SSTR3HDAC1HDAC3HDAC2HDAC8
SCHEMBL20910409 0.77 SSTR3 (0.41) SSTR3HDAC1HDAC3HDAC2NCOR1
SCHEMBL20900043 0.76 SSTR3 (0.44) SSTR3CTSSCTSKPTPN1S1PR3

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 3 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

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 SSTR3 4414/4885HDAC1 1/4885HDAC3 4/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 SSTR3 4414/4885HDAC1 1/4885HDAC3 4/4885

“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.