SCHEMBL1246147

SCHEMBL1246147

CCC(CC)c1nc(C(=O)O)cs1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACHE P22303 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
TLR7 Q9NYK1 1/20 0.36
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL27809804 0.87 TLR7 (0.37) PLA2G4AL3MBTL1ALDH1A1HDAC1HDAC8
SCHEMBL16503358 0.84 PLA2G4A (0.44) PLA2G4AL3MBTL1ALDH1A1KDM4EHDAC1
SCHEMBL16503356 0.84 PLA2G4A (0.44) PLA2G4AL3MBTL1ALDH1A1KDM4EHDAC1
SCHEMBL1808973 0.81 PLA2G4A (0.42) PLA2G4AL3MBTL1ALDH1A1KDM4EHDAC1
SCHEMBL27105800 0.81 PLA2G4A (0.40) PLA2G4AL3MBTL1ALDH1A1KDM4EHDAC1
SCHEMBL1246665 0.80 RAB9A (0.59) L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL314037 0.79 TLR7 (0.53) PLA2G4AL3MBTL1ALDH1A1KDM4EHDAC1
SCHEMBL3946664 0.79 PLA2G4A (0.40) PLA2G4AL3MBTL1ALDH1A1KDM4EHDAC1
SCHEMBL19209333 0.78 PLA2G4A (0.42) PLA2G4AL3MBTL1ALDH1A1KDM4EHDAC1
SCHEMBL29232872 0.78 L3MBTL1 (0.47) PLA2G4AL3MBTL1ALDH1A1KDM4EHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021018858-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER LES LABORATOIRES SERVIER (FR) 2021-02-04 WO disclosed
CN-102625808-B Spirocyclic amide derivatives ASTRAZENECA AB 2014-08-27 CN disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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 (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-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 PLA2G4A 4183/4885L3MBTL1 4881/4885ALDH1A1 102/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 PLA2G4A 3539/4885L3MBTL1 3267/4885ALDH1A1 975/4885

“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.