SCHEMBL30623231

SCHEMBL30623231

O=S(=O)(Nc1ccc(CO)cn1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ CTPS1 P17812 7/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ CKS1B P61024 2/20 0.36
▸ SKP2 Q13309 2/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL25359599 1.00 KDM4E (0.40) KDM4ECTPS1ABL1MAP4K1MALT1
SCHEMBL25358409 0.85 KDM4E (0.43) KDM4ECTPS1ABL1MAP4K1MALT1
SCHEMBL3123445 0.85 KDM4E (0.40) KDM4ECTPS1ABL1MAP4K1MALT1
SCHEMBL25355967 0.77 ABL1 (0.39) KDM4ECTPS1ABL1MAP4K1CKS1B
SCHEMBL30623323 0.77 ABL1 (0.39) KDM4ECTPS1ABL1MAP4K1CKS1B
SCHEMBL3123439 0.75 NNMT (0.54) —
SCHEMBL26066456 0.70 IKBKE (0.37) ABL1IKBKETBK1
SCHEMBL14830949 0.69 TSHR (0.53) KDM4ECKS1BSKP2ALDH1A1PTGS1
SCHEMBL30339075 0.69 TSHR (0.53) KDM4ECKS1BSKP2ALDH1A1PTGS1
SCHEMBL8104999 0.69 HCAR3 (0.56) KDM4EALDH1A1

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
CN-119343353-A 2-Methyl-4 ',5' -dihydrospiro [ piperidine-4, 7' -thieno [2,3-c ] pyran ] derivatives as APOL1 inhibitors and methods of use thereof 弗特克斯药品有限公司 2025-01-21 — — CN disclosed
EP-4476227-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-12-18 — — EP disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
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