SCHEMBL23389135

SCHEMBL23389135

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.32
▸ SIGMAR1 Q99720 3/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ DDR1 Q08345 2/20 0.31
▸ CHRM4 P08173 1/20 0.30
▸ DRD1 P21728 1/20 0.30

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 1.00 DRD4 (0.32) DRD4SIGMAR1DRD3DRD5SLC6A4
SCHEMBL23418993 1.00 DRD4 (0.32) DRD4SIGMAR1DRD3DRD5SLC6A4
SCHEMBL25994875 0.91 DRD4 (0.32) DRD4SIGMAR1DRD3DRD5SLC6A4
SCHEMBL25987671 0.85 BTK (0.38) DDR1
SCHEMBL23389183 0.79 CYP19A1 (0.38) DRD4SIGMAR1DRD3DRD5SLC6A4
SCHEMBL29943836 0.79 CYP19A1 (0.38) DRD4SIGMAR1DRD3DRD5SLC6A4
SCHEMBL25992430 0.73 DRD4 (0.42) DRD4SIGMAR1DRD3DRD5SLC6A4
SCHEMBL23389097 0.72 ROCK2 (0.44) DDR1
SCHEMBL23389100 0.72 ROCK2 (0.44) DDR1
SCHEMBL23389149 0.72 BTK (0.37) DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF SHANGPHARMA INNOVATION INC. 2025-08-21 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — WO disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 DRD4 4769/4885SIGMAR1 4395/4885DRD3 4829/4885
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 DRD4 4769/4885SIGMAR1 4395/4885DRD3 4829/4885

“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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