SCHEMBL25994875

SCHEMBL25994875

C=CS(=O)(=O)NC1CN(Cc2cc3cc(OC(F)(F)F)c(F)cc3[nH]2)CC[C@H]1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ DDR1 Q08345 3/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PHKG2 P15735 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ MARK3 P27448 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ IRAK1 P51617 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ PRKCD Q05655 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
SCHEMBL29943304 0.91 DRD4 (0.32) DRD4DRD3SIGMAR1DRD5DDR1
SCHEMBL23418993 0.91 DRD4 (0.32) DRD4DRD3SIGMAR1DRD5DDR1
SCHEMBL23389135 0.91 DRD4 (0.32) DRD4DRD3SIGMAR1DRD5DDR1
SCHEMBL25987671 0.85 BTK (0.38) DDR1BTKROCK2
SCHEMBL25992430 0.77 DRD4 (0.42) DRD4DRD3SIGMAR1DRD5SLC6A4
SCHEMBL25994198 0.76 DDR1 (0.30) DDR1
SCHEMBL23389183 0.73 CYP19A1 (0.38) DRD4DRD3SIGMAR1DRD5DDR1
SCHEMBL29943836 0.73 CYP19A1 (0.38) DRD4DRD3SIGMAR1DRD5DDR1
SCHEMBL23389097 0.71 ROCK2 (0.44) DDR1BTKJAK2ROCK2PRKD3
SCHEMBL23389100 0.71 ROCK2 (0.44) DDR1BTKJAK2ROCK2PRKD3

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 DRD4 4769/4885DRD3 4829/4885SIGMAR1 4395/4885

“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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