SCHEMBL21645720

SCHEMBL21645720

C=CCC(C)(NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PTPN1 P18031 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
KMT2A Q03164 3/20 0.35
ADRB2 P07550 4/20 0.35
ADRB1 P08588 4/20 0.35
ADRB3 P13945 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.34
SCN9A Q15858 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL21645721 1.00 MAPT (0.40) MAPTCASP3SENP7SENP6PTPN1
SCHEMBL21645653 0.77 CTSS (0.44) MAPTCASP3SENP7SENP6PTPN1
SCHEMBL21645651 0.77 CTSS (0.44) MAPTCASP3SENP7SENP6PTPN1
SCHEMBL18329403 0.75 CASP3 (0.43) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL7398035 0.73 MAPT (0.46) MAPTKMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL13201403 0.73 MAPT (0.46) MAPTKMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL362436 0.70 LMNA (0.42) MAPTKMT2AADRB2NPC1RAB9A
SCHEMBL1772191 0.69 GAA (0.44) MAPTKMT2AADRB2ADRB1ADRB3
SCHEMBL1433275 0.68 MAPT (0.40) MAPTKMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL17866134 0.68 MAPT (0.40) MAPTKMT2ASMN1; SMN2KDM4EMEN1

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 MAPT 3101/4885CASP3 860/4885SENP7 1588/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 MAPT 3101/4885CASP3 860/4885SENP7 1588/4885

“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.