SCHEMBL25260648

SCHEMBL25260648

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC2(CNC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 3/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ CNR1 P21554 1/20 0.40

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
Hydrochloric Acid SCHEMBL23850061 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAAEPHX2
SCHEMBL31532449 0.83 HTT (0.54) MEN1KMT2AGAAHSD11B1KDM4E
SCHEMBL25254784 0.81 MEN1 (0.48) MEN1KMT2AEPHX2HDAC1PTGS2
SCHEMBL30945268 0.80 CNR1 (0.39) ALDH1A1KMT2AL3MBTL1GAAHDAC1
SCHEMBL27246579 0.80 CNR1 (0.39) ALDH1A1KMT2AL3MBTL1GAAHDAC1
SCHEMBL18497968 0.80 PKM (0.54) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL27246577 0.79 AR (0.48) ALDH1A1MEN1KMT2AHSD11B1TSHR
SCHEMBL23849998 0.79 TRPV4 (0.46) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL30945161 0.79 HTR6 (0.37) ALDH1A1L3MBTL1HSD11B1KDM4EHTR6
SCHEMBL27246499 0.79 HTR6 (0.37) ALDH1A1L3MBTL1HSD11B1KDM4EHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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 (3 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY ALDH1A1 1218/4885MEN1 1044/4885KMT2A 2194/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY ALDH1A1 1218/4885MEN1 1044/4885KMT2A 2194/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 ALDH1A1 411/4885MEN1 2422/4885KMT2A 1346/4885

“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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