SCHEMBL25987671

SCHEMBL25987671

C=CS(=O)(=O)N[C@@H]1CCCN(Cc2cc3cc(OC(F)(F)F)c(F)cc3[nH]2)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.38
▸ DDR1 Q08345 14/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ PDE2A O00408 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
SCHEMBL23389100 0.86 ROCK2 (0.44) BTKDDR1ROCK2
SCHEMBL23389097 0.86 ROCK2 (0.44) BTKDDR1ROCK2
SCHEMBL23389149 0.86 BTK (0.37) BTKDDR1ROCK2PDE2A
SCHEMBL23389146 0.86 BTK (0.37) BTKDDR1ROCK2PDE2A
SCHEMBL29943304 0.85 DRD4 (0.32) DDR1
SCHEMBL23389135 0.85 DRD4 (0.32) DDR1
SCHEMBL23418993 0.85 DRD4 (0.32) DDR1
SCHEMBL25994875 0.85 DRD4 (0.32) BTKDDR1ROCK2
SCHEMBL23389182 0.81 KMT2A (0.44) BTK
SCHEMBL23389179 0.81 KMT2A (0.44) BTK

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 3023/4885DDR1 1956/4885ROCK2 3549/4885

“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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