SCHEMBL25987826

SCHEMBL25987826

C=CS(=O)(=O)N[C@@H]1CCCN(CCNc2ccc(CC(F)(F)F)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.35
▸ TEAD1 P28347 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ DRD1 P21728 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD5 P21918 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ ROCK2 O75116 4/20 0.32
▸ BCHE P06276 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
SCHEMBL23389211 0.85 EPHX2 (0.42) ROCK2
SCHEMBL23389214 0.85 EPHX2 (0.42) ROCK2
SCHEMBL25987825 0.83 BTK (0.35) BTKTEAD1DRD2DRD1DRD4
SCHEMBL25987834 0.72 CTSL (0.48) DRD2
SCHEMBL23419111 0.69 KMT2A (0.52) —
SCHEMBL23389188 0.69 KMT2A (0.52) —
SCHEMBL25993264 0.68 KMT2A (0.43) —
SCHEMBL25993484 0.68 POLB (0.43) —
SCHEMBL23389124 0.67 EPHX2 (0.46) —
SCHEMBL23389123 0.67 EPHX2 (0.46) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 BTK 3023/4885TEAD1 2285/4885DRD2 4806/4885

“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.

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