SCHEMBL2280952

SCHEMBL2280952

O=c1[nH]c(=S)n(C[C@@H]2CCCO2)c2nc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 1.00
▸ TPO P07202 4/20 1.00
▸ ALDH1A1 P00352 9/20 0.48
▸ POLB P06746 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADORA2B P29275 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
SCHEMBL1960671 1.00 MPO (1.00) MPOTPOALDH1A1POLBHSD17B10
SCHEMBL2288062 1.00 MPO (1.00) MPOTPOALDH1A1POLBHSD17B10
SCHEMBL1461291 0.82 MPO (0.70) MPOTPOALDH1A1HSD17B10PDE4A
SCHEMBL1460900 0.81 MPO (0.69) MPOTPOALDH1A1HSD17B10KDM4E
SCHEMBL29084974 0.76 MPO (0.61) MPOTPOALDH1A1POLBHSD17B10
SCHEMBL1962177 0.75 MPO (0.59) MPOTPOALDH1A1POLBHSD17B10
SCHEMBL3256669 0.75 MPO (0.59) MPOTPOALDH1A1POLBHSD17B10
SCHEMBL1959309 0.72 MPO (0.56) MPOTPOALDH1A1POLBHSD17B10
SCHEMBL10180927 0.71 MPO (0.60) MPOTPOHSD17B10PDE4AADORA2A
SCHEMBL1373494 0.71 PDE4A (0.74) MPOTPOHSD17B10PDE4AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113633641-A MPO inhibitors for the treatment of huntington's disease and multiple system atrophy 阿斯利康(瑞典)有限公司 2021-11-12 — — CN disclosed
US-20200405724-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2020-12-31 — — US disclosed
US-10772890-B2 Use of myeloperoxidase (MPO) inhibitors or pharmaceutically acceptable salts thereof to treat multiple system atrophy (MSA) 938 ASTRAZENECA AB (SE) 2020-09-15 — — US disclosed
US-20190099423-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2019-04-04 — — US disclosed
US-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2014-08-07 — — US disclosed
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2013-03-07 — — US disclosed
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2011-08-25 — — US disclosed
US-20090053176-A1 New Combination 937 ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
US-20090054468-A1 New Use 938 ASTRAZENECA AB (SE) 2009-02-26 — — 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 (8 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-10772890-B2 Use of myeloperoxidase (MPO) inhibitors or pharmaceutically acceptable salts thereof to treat multiple system atrophy (MSA) 938 MPO, CAT, SOD1 MPO 1/4885TPO 35/4885ALDH1A1 1073/4885
US-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885ALDH1A1 1797/4885
US-20200405724-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 28/4885ALDH1A1 1154/4885
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885ALDH1A1 1797/4885
US-20090053176-A1 New Combination 937 MPO, PARK7, CAT MPO 1/4885TPO 253/4885ALDH1A1 830/4885
US-20190099423-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 28/4885ALDH1A1 1154/4885
US-20090054468-A1 New Use 938 MPO, CAT, HTT MPO 1/4885TPO 199/4885ALDH1A1 928/4885
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885ALDH1A1 1797/4885

“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.

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