SCHEMBL25170282

SCHEMBL25170282

NS(=O)(=O)c1cc(Br)cnc1OCCC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 6/20 0.33
CNR2 P34972 3/20 0.32
CTSS P25774 2/20 0.32
GCK P35557 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RORC P51449 1/20 0.32
OPRK1 P41145 1/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
AKT1 P31749 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL25176122 0.83 CTSS (0.39) P2RX4CNR2CTSS
SCHEMBL1700291 0.82 ATXN2 (0.37) MOGAT2AKT1PIK3CAMTOR
SCHEMBL25173432 0.79 CA12 (0.51) KDM4EPIK3CA
SCHEMBL25176146 0.75 CSF1R (0.42) CNR2KDM4EHSD17B10RORC
SCHEMBL1700813 0.74 XDH (0.38) CTSS
SCHEMBL25173653 0.74 LRRK2 (0.32) KDM4EHSD17B10
SCHEMBL25170414 0.73 IRAK4 (0.44) OPRK1PIK3CA
SCHEMBL25176499 0.71 SSTR4 (0.41) KDM4EHSD17B10PIK3CA
SCHEMBL21513720 0.71 HRH3 (0.40) KDM4E
SCHEMBL13097263 0.70 CHRNB2 (0.44) GCK

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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 P2RX4 4856/4885CNR2 3087/4885CTSS 2311/4885

“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.