SCHEMBL502826

SCHEMBL502826

C[C@H](O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
UGT2B7 P16662 1/20 0.43
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PTPN5 P54829 1/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL57895 1.00 AOC3 (0.47) AOC3NOS3NOS1UGT2B7IDO1
SCHEMBL1962791 1.00 AOC3 (0.47) AOC3NOS3NOS1UGT2B7IDO1
SCHEMBL11620987 0.93 PTPN5 (0.50) AOC3NOS3NOS1UGT2B7IDO1
SCHEMBL11129545 0.87 TRPA1 (0.40) AOC3NOS3NOS1IDO1TDO2
SCHEMBL9331190 0.85 NOS3 (0.54) NOS3NOS1UGT2B7PTPN5HTT
SCHEMBL9331652 0.85 NOS3 (0.54) NOS3NOS1UGT2B7PTPN5HTT
SCHEMBL9331061 0.85 NOS3 (0.54) NOS3NOS1UGT2B7PTPN5HTT
SCHEMBL40655 0.85 NOS3 (0.54) NOS3NOS1UGT2B7PTPN5HTT
Piperidine SCHEMBL28981210 0.82 SLC6A2 (0.41) AOC3HTT
SCHEMBL15450371 0.79 AOC3 (0.48) AOC3IDO1TDO2HDAC3HDAC4

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108101741-B Method for synthesizing chiral alcohol by alkyne hydration/asymmetric hydrogenation tandem 三峡大学 2021-06-29 CN claimed
EP-4741018-A2 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2026-05-13 EP disclosed
US-12583836-B2 Sulphonamide compounds Anaxis Pharma Pty Ltd (AU) 2026-03-24 US disclosed
EP-4168401-B1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2026-01-07 EP disclosed
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-04-10 US disclosed
US-20250074891-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-03-06 US disclosed
US-20250059188-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-02-20 US disclosed
EP-4452966-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 EP disclosed
EP-4452978-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 EP disclosed
EP-4452977-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 EP disclosed
WO-2005095628-A1 METHOD FOR THE PRODUCTION OF CHIRAL, SECONDARY ALCOHOLS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-10-13 WO disclosed
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
CN-1174103-C Process for preparing chiral substituted arylepoxyethane compounds and its biol by selective splitting of Aspergillus niger 中国科学院上海有机化学研究所 2004-11-03 CN disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO disclosed
CN-1369565-A Process for preparing chiral substituted arylepoxyethane compounds and its biol by selective splitting of Aspergillus niger SHANGHAI INST ORGANIC CHEM (CN) 2002-09-18 CN disclosed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO 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 (6 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-20250074891-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP9 AOC3 4600/4885NOS3 542/4885NOS1 364/4885
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 AOC3 4165/4885NOS3 1547/4885NOS1 771/4885
US-12583836-B2 Sulphonamide compounds MLKL, RIPK3, CASP1 AOC3 4184/4885NOS3 246/4885NOS1 131/4885
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 AOC3 3087/4885NOS3 705/4885NOS1 516/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 AOC3 4120/4885NOS3 1449/4885NOS1 950/4885
US-20250059188-A1 ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 AOC3 3955/4885NOS3 264/4885NOS1 180/4885

“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.