SCHEMBL25257484

SCHEMBL25257484

CSc1ccc(F)c(C(=O)C(F)(F)F)c1Br

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.36
▸ CES1 P23141 1/20 0.35
▸ MLYCD O95822 4/20 0.32
▸ ACHE P22303 2/20 0.32
▸ PPIA P62937 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL30229135 0.75 AR (0.35) ARPPIAMEN1KMT2A
SCHEMBL28999205 0.74 CA12 (0.42) MEN1MAPTKMT2A
SCHEMBL25300766 0.73 CCR2 (0.35) CES1MLYCDACHE
SCHEMBL30127875 0.69 AR (0.34) AR
SCHEMBL16825502 0.68 L3MBTL1 (0.40) ARPPIAMEN1MAPTKMT2A
SCHEMBL16825585 0.65 AR (0.31) AR
SCHEMBL8848280 0.63 CES1 (0.45) CES1MLYCDACHE
SCHEMBL8932128 0.63 ACHE (0.42) CES1MLYCDACHE
SCHEMBL16825599 0.63 — —
SCHEMBL7195729 0.62 CES1 (0.54) CES1MLYCDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565497-B2 Sulfone derivatives HOFFMANN-LA ROCHE INC. (US) 2026-03-03 — — US disclosed
US-20230219953-A1 SULFONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-13 — — 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 (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-20230219953-A1 SULFONE DERIVATIVES SULT1E1, SULT1A1, SULT2A1 AR 1892/4885CES1 966/4885MLYCD 4221/4885
US-12565497-B2 Sulfone derivatives CXCR1, CCR1, SULT1E1 AR 954/4885CES1 72/4885MLYCD 4646/4885

“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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