SCHEMBL25993358

SCHEMBL25993358

C=CS(=O)(=O)N[C@@H]1CCCN(C(=O)CNc2ccc(OC(F)(F)PC)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.39
▸ EPHX2 P34913 3/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ BTK Q06187 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL23389123 0.90 EPHX2 (0.46) EPHX2ALDH1A1KDM4E
SCHEMBL23389124 0.90 EPHX2 (0.46) EPHX2ALDH1A1KDM4E
SCHEMBL23419215 0.77 EPHX2 (0.63) EPHX2
SCHEMBL23418851 0.77 EPHX2 (0.63) EPHX2
SCHEMBL25993140 0.76 EPHX2 (0.41) GFEREPHX2RAB9AMAPTBTK
SCHEMBL23389214 0.73 EPHX2 (0.42) EPHX2MAPT
SCHEMBL23389211 0.73 EPHX2 (0.42) EPHX2MAPT
SCHEMBL25992522 0.72 BTK (0.38) EPHX2GAABTK
SCHEMBL23389085 0.71 CA1 (0.49) EPHX2RAB9AALDH1A1
SCHEMBL23389086 0.71 CA1 (0.49) EPHX2RAB9AALDH1A1

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 GFER 3736/4885EPHX2 3551/4885RAB9A 2054/4885

“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.

Send feedback