SCHEMBL1028840

SCHEMBL1028840

O=C(O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CA12 O43570 1/20 0.71
CA9 Q16790 1/20 0.71
POLB P06746 2/20 0.65
PTPN1 P18031 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
GAA P10253 1/20 0.61

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
SCHEMBL3560585 0.91 FFAR1 (0.63) CA1CA2CA12CA9POLB
SCHEMBL3553373 0.88 AR (0.62) CA1CA2CA12CA9POLB
SCHEMBL7501950 0.86 CA1 (0.81) CA1CA2POLBMEN1KMT2A
SCHEMBL3086762 0.85 CA1 (0.66) CA1CA2CA12CA9POLB
SCHEMBL9320585 0.85 POLB (0.63) CA1CA2CA12CA9POLB
SCHEMBL14057926 0.85 MAPT (0.74) CA1CA2CA12CA9POLB
SCHEMBL7932062 0.85 CA12 (0.73) CA1CA2CA12CA9POLB
SCHEMBL893905 0.84 CA12 (0.73) CA1CA2CA12CA9POLB
SCHEMBL3715141 0.84 CA12 (0.75) CA1CA2CA12CA9POLB
SCHEMBL15480542 0.84 HDAC3 (0.69) CA1CA2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed
CN-101490004-B Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMA SPA 2012-01-11 CN disclosed
EP-2044023-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2011-01-19 EP disclosed
US-7671066-B2 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2010-03-02 US disclosed
CN-101490004-A Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMA S P A (IT) 2009-07-22 CN disclosed
EP-2044023-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2009-04-08 EP disclosed
WO-2008006509-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2008-01-17 WO disclosed
US-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A.. 2008-01-17 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 (2 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 CA1 1353/4885CA2 2183/4885CA12 1212/4885
US-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 CA1 4359/4885CA2 2545/4885CA12 4542/4885

“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.