SCHEMBL22116295

SCHEMBL22116295

[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(c2cccc(S(=O)(=O)NC(=O)C3CC3)n2)C1([2H])[2H]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.36
▸ STS P08842 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ SHMT2 P34897 1/20 0.32
▸ AGTR2 P50052 2/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ JAK1 P23458 4/20 0.32
▸ TYK2 P29597 2/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL22116413 0.81 HPGD (0.39) HPGDSTSCYP1A2CYP3A4CYP2D6
SCHEMBL30611680 0.78 ABL1 (0.43) HPGDSTSCYP1A2CYP3A4CYP2D6
SCHEMBL30611688 0.78 ABL1 (0.43) HPGDSTSCYP1A2CYP3A4CYP2D6
SCHEMBL30611793 0.78 KIF18A (0.42) HPGDSTSCYP1A2CYP3A4CYP2D6
SCHEMBL22116414 0.78 ABL1 (0.43) HPGDSTSCYP1A2CYP3A4CYP2D6
SCHEMBL22116366 0.78 ABL1 (0.43) HPGDSTSCYP1A2CYP3A4CYP2D6
SCHEMBL22116307 0.78 KIF18A (0.42) HPGDSTSCYP1A2CYP3A4CYP2D6
SCHEMBL22116346 0.77 KIF18A (0.50) —
SCHEMBL22116332 0.76 HSD11B1 (0.44) HPGDSTSAGTR2AGTR1TSHR
SCHEMBL22116717 0.76 DRD2 (0.41) HPGDSTSAGTR2AGTR1P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897832-B1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE NOVARTIS AG (CH) 2023-10-11 — — EP claimed
EP-3897832-A1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE Novartis AG (CH) 2021-10-27 — — EP claimed
WO-2020128768-A1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE NOVARTIS AG (CH) 2020-06-25 — — WO claimed
EP-3897832-B1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE NOVARTIS AG (CH) 2023-10-11 — — EP disclosed
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