SCHEMBL24998621

SCHEMBL24998621

CC(C)(C)c1cccc2c(NS(=O)(=O)C3CC3)nn(CC(F)F)c12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 5/20 0.35
HTR3A P46098 3/20 0.34
BRD4 O60885 2/20 0.33
SCN9A Q15858 2/20 0.31
FPR1 P21462 1/20 0.31
MAP2K7 O14733 1/20 0.31
MAP2K4 P45985 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RBP4 P02753 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
JAK1 P23458 1/20 0.31
NR3C1 P04150 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
SCHEMBL24998625 0.85 RORC (0.33) HTR3ABRD4
SCHEMBL24997654 0.82 SCN9A (0.35) SCN9A
SCHEMBL24998325 0.81 CCR4 (0.37) BRD4SCN9AFPR1TDP1RBP4
SCHEMBL25639319 0.74 CDC7 (0.31) SCN9A
SCHEMBL24142758 0.72 SCN9A (0.35) BRD4SCN9A
SCHEMBL30774090 0.72 CCR4 (0.37) HTR3ASCN9A
SCHEMBL20552538 0.71 SCN9A (0.35) SCN9ATDP1
SCHEMBL25639270 0.71 SCN9A (0.34) SCN9A
SCHEMBL24997647 0.70 SCN9A (0.33) SCN9A
SCHEMBL24144681 0.69 CCR4 (0.36) HTR3ABRD4TDP1AAK1JAK1

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-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 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-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 NR1D1 2426/4885HTR3A 4181/4885BRD4 1037/4885

“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.