SCHEMBL30133143

SCHEMBL30133143

CCOC(=O)C1CCc2c1sc(NC(=O)CNC(=O)OC(C)(C)C)c2C(=O)c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 7/20 0.36
TP53 P04637 3/20 0.36
THRB P10828 2/20 0.34
HPGD P15428 3/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR2 P25025 1/20 0.33
CXCR4 P61073 1/20 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
SCHEMBL27238433 0.90 PDE4B (0.39) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL30133093 0.87 PDE4B (0.38) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL30133161 0.85 MAPT (0.40) PDE4BALDH1A1TSHRMAPTTP53
SCHEMBL30133081 0.84 PDE4B (0.40) PDE4BALDH1A1MEN1TSHRKMT2A
SCHEMBL30133129 0.80 SMN1; SMN2 (0.39) ALDH1A1MEN1TSHRKMT2AMAPT
SCHEMBL30133170 0.80 PDE4B (0.38) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL30133135 0.79 SMN1; SMN2 (0.38) PDE4BALDH1A1MEN1TSHRKMT2A
SCHEMBL29207749 0.78 CXCR2 (0.46) ALDH1A1MEN1TSHRKMT2AMAPT
SCHEMBL30395831 0.76 CNR2 (0.46) PDE4BCXCR2
SCHEMBL27238434 0.76 PDE4B (0.42) PDE4BALDH1A1MEN1KMT2AMAPT

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
US-20240190889-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2024-06-13 US disclosed
EP-4380940-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-06-12 EP disclosed
WO-2023012130-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-02-09 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 (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-20240190889-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS GABRA1, GABRA5, GABRB1 PDE4B 231/4885ALDH1A1 911/4885MEN1 3621/4885

“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.