SCHEMBL30392252

SCHEMBL30392252

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(F)(F)c2cc(Cl)nc(Cl)c2)O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.38
▸ LIPE Q05469 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.35
▸ GPR119 Q8TDV5 3/20 0.35
▸ STS P08842 2/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL26105566 1.00 RORC (0.38) RORCLIPETSHRUSP30GPR119
SCHEMBL26105563 1.00 RORC (0.38) RORCLIPETSHRUSP30GPR119
SCHEMBL26105464 0.82 USP2 (0.43) RORCGPR119STSHDAC4
SCHEMBL26104643 0.82 USP2 (0.43) RORCGPR119STSHDAC4
SCHEMBL26105375 0.82 RORC (0.43) RORCUSP30GPR119STSTACR1
SCHEMBL31223970 0.81 PDE4B (0.37) RORCTSHRUSP30GPR119STS
SCHEMBL31165531 0.80 RORC (0.41) RORCUSP30GPR119STSTACR1
SCHEMBL26102514 0.77 HSP90AA1 (0.33) RORCTSHRGPR119TACR1HSP90AA1
SCHEMBL31165545 0.75 STS (0.47) GPR119STS
SCHEMBL31224487 0.75 USP30 (0.37) RORCTSHRUSP30GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436667-A1 PIPERAZINYLSULFONYLARYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2024-10-02 — — EP disclosed
CN-118201916-A Piperazinylsulfonylaryl compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-06-14 — — CN disclosed
WO-2023072794-A1 PIPERAZINYLSULFONYLARYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-04 — — WO disclosed
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