SCHEMBL23797446

SCHEMBL23797446

C=CCC(COC)(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
DGAT1 O75907 1/20 0.36
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPRB P23467 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CTSK P43235 2/20 0.30

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
SCHEMBL23797245 0.88 MAPT (0.39) MAPTTDP1CA12CA2CA14
SCHEMBL13201422 0.87 MAPT (0.43) MAPTDGAT1CYP2C19TDP1POLB
SCHEMBL14014467 0.83 MAPT (0.39) MAPTDGAT1CA2
SCHEMBL13201403 0.80 MAPT (0.46) MAPTDGAT1CYP2C19TDP1POLB
SCHEMBL7398035 0.80 MAPT (0.46) MAPTDGAT1CYP2C19TDP1POLB
SCHEMBL8225007 0.78 MAPT (0.52) MAPTCYP2C19TDP1POLBCA12
SCHEMBL23797497 0.76 MAPT (0.38) MAPTCYP2C19TDP1CA12CA2
SCHEMBL1730377 0.76 MAPT (0.38) MAPTTDP1CA2KDM4ESMN1; SMN2
SCHEMBL6062373 0.76 MAPT (0.38) MAPTTDP1CA2KDM4ESMN1; SMN2
SCHEMBL31346359 0.74 DGAT1 (0.45) MAPTDGAT1TDP1CA12CA2

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-3876928-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2024-10-23 EP disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
EP-3876928-A2 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-09-15 EP 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-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 MAPT 2491/4885DGAT1 3738/4885CYP2C19 1511/4885

“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.