SCHEMBL25145667

SCHEMBL25145667

O=S(=O)(NC1CCC2(CC1)CNC2)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ STS P08842 1/20 0.45
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.42
▸ HTR1A P08908 4/20 0.42
▸ HTR7 P34969 4/20 0.42
▸ BRAF P15056 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ LIPE Q05469 2/20 0.40
▸ PTGES2 Q9H7Z7 2/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ KAT6A Q92794 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL31532388 0.82 HDAC8 (0.58) KITHDAC8STSDDB1CRBN
SCHEMBL25255089 0.82 HDAC8 (0.48) KITHDAC8STSDDB1CRBN
SCHEMBL25297738 0.78 HDAC8 (0.47) KITHDAC8STS
SCHEMBL29497073 0.78 HDAC8 (0.47) KITHDAC8STS
SCHEMBL25146288 0.76 HDAC8 (0.43) KITHDAC8STSDDB1CRBN
SCHEMBL30898353 0.75 DDB1 (0.40) KITHDAC8DDB1CRBNSLC40A1
SCHEMBL25324806 0.75 KIT (0.43) KITHDAC8STSDDB1CRBN
SCHEMBL25146054 0.75 MGLL (0.48) KITHDAC8STSDDB1CRBN
SCHEMBL30700579 0.74 KIT (0.44) KITHDAC8STSAKR1C3
SCHEMBL29497071 0.73 KDM2B (0.43) DDB1CRBNSLC40A1BRAFAKR1C3

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 8 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-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO 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 (4 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 KIT 512/4885HDAC8 2323/4885STS 1021/4885
US-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 KIT 468/4885HDAC8 2253/4885STS 748/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY KIT 512/4885HDAC8 2323/4885STS 1021/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 KIT 598/4885HDAC8 1553/4885STS 1081/4885

“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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