SCHEMBL21645653

SCHEMBL21645653

C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
CTSK P43235 4/20 0.44
MAPT P10636 4/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PTPN1 P18031 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SCN9A Q15858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL21645651 1.00 CTSS (0.44) CTSSCTSKMAPTCASP3SENP7
SCHEMBL613831 0.87 MEN1 (0.44) CTSSCTSKMAPTALDH1A1SMN1; SMN2
SCHEMBL613832 0.87 MEN1 (0.44) CTSSCTSKMAPTALDH1A1SMN1; SMN2
SCHEMBL30480726 0.87 MEN1 (0.44) CTSSCTSKMAPTALDH1A1SMN1; SMN2
SCHEMBL615701 0.83 KDM4E (0.46) CTSSCTSKMAPTPTPN1ALDH1A1
SCHEMBL30480765 0.83 KDM4E (0.46) CTSSCTSKMAPTPTPN1ALDH1A1
SCHEMBL615702 0.83 KDM4E (0.46) CTSSCTSKMAPTPTPN1ALDH1A1
SCHEMBL23797269 0.83 MAPT (0.47) CTSSCTSKMAPTALDH1A1SCN9A
SCHEMBL23797268 0.83 MAPT (0.47) CTSSCTSKMAPTALDH1A1SCN9A
SCHEMBL18526468 0.78 PPARA (0.55) CTSSCTSKMAPTCTSLCTSB

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 CTSS 653/4885CTSK 1216/4885MAPT 3101/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 CTSS 653/4885CTSK 1216/4885MAPT 3101/4885

“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.