SCHEMBL24998625

SCHEMBL24998625

CCS(=O)(=O)Nc1nn(CC(F)F)c2c(C(C)(C)C)cccc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
PSIP1 O75475 1/20 0.33
BRD4 O60885 2/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NR3C2 P08235 1/20 0.30
HTR3A P46098 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
SCHEMBL24998621 0.85 NR1D1 (0.35) BRD4HTR3A
SCHEMBL24998323 0.81 CCR4 (0.39) RORCPSIP1BRD4NR3C2
SCHEMBL24997620 0.70 SCN9A (0.32)
SCHEMBL19788942 0.68 CCR4 (0.37) RORCBRD4
SCHEMBL16154652 0.68 CCR4 (0.41) RORCBRD4KDM4EMAPTKMT2A
SCHEMBL19788938 0.67 CCR4 (0.40) RORCALDH1A1TP53
SCHEMBL24997654 0.67 SCN9A (0.35)
SCHEMBL24142870 0.66 BRD4 (0.46) BRD4KDM4EMEN1MAPTKMT2A
SCHEMBL19788718 0.66 KAT2B (0.38)
SCHEMBL24998325 0.64 CCR4 (0.37) BRD4

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 RORC 702/4885PSIP1 2145/4885BRD4 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.