SCHEMBL21645562

SCHEMBL21645562

C=CC[C@@]1(C(=O)O)CCCCC(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL21645416 1.00 POLB (0.34) POLBMEN1ALDH1A1KMT2AGAA
SCHEMBL21645563 1.00 POLB (0.34) POLBMEN1ALDH1A1KMT2AGAA
SCHEMBL21645639 0.95 POLB (0.32) POLBMEN1ALDH1A1KMT2A
SCHEMBL21645578 0.95 POLB (0.32) POLBMEN1ALDH1A1KMT2A
SCHEMBL21645749 0.95 POLB (0.32) POLBMEN1ALDH1A1KMT2A
SCHEMBL21645399 0.90 POLB (0.31) POLBMEN1ALDH1A1KMT2A
SCHEMBL21645418 0.90 POLB (0.31) POLBMEN1ALDH1A1KMT2A
SCHEMBL21645421 0.90 POLB (0.31) POLBMEN1ALDH1A1KMT2A
SCHEMBL4909784 0.83 ITGB3 (0.32)
SCHEMBL31622088 0.82 POLB (0.35) POLBMEN1ALDH1A1KMT2AGAA

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 6 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
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 POLB 677/4885MEN1 3585/4885ALDH1A1 160/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 POLB 677/4885MEN1 3585/4885ALDH1A1 160/4885

“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.