SCHEMBL1482389

SCHEMBL1482389

COC(=O)C1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ENPP2 Q13822 1/20 0.43
STAT3 P40763 1/20 0.42
TAS2R14 Q9NYV8 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL21987511 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL8258339 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL28338117 0.88 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL28338118 0.88 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL21822929 0.88 STAT3 (0.43) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL23387619 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL20501797 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL23387620 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL7032005 0.85 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9ENPP3
SCHEMBL26655167 0.85 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
EP-3969458-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2022-03-23 EP disclosed
US-20210188879-A1 CHEMICAL COMPOUNDS CANAAN XII L.P. 2021-06-24 US disclosed
WO-2020232470-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2020-11-19 WO disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
CN-110809574-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2020-02-18 CN disclosed
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (5 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL ALDH1A1 1615/4885KMT2A 3153/4885MEN1 4390/4885
US-20210188879-A1 CHEMICAL COMPOUNDS JAK2, JAK1, JAK3 ALDH1A1 2478/4885KMT2A 616/4885MEN1 1421/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885KMT2A 3232/4885MEN1 3150/4885
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 ALDH1A1 187/4885KMT2A 2176/4885MEN1 2360/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 ALDH1A1 1567/4885KMT2A 4296/4885MEN1 4026/4885

“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.