SCHEMBL12252300

SCHEMBL12252300

COC(=O)c1cccc(-n2sc3ccccc3c2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 15/20 1.00
PMM2 O15305 13/20 1.00
PHOSPHO1 Q8TCT1 13/20 1.00
RAB9A P51151 3/20 1.00
APOBEC3G Q9HC16 4/20 0.72
IDE P14735 1/20 0.72
G6PD P11413 5/20 0.59
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
PKM P14618 3/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 2/20 0.56
CASP3 P42574 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HSP90AA1 P07900 1/20 0.56
EP300 Q09472 1/20 0.56
KAT2A Q92830 1/20 0.56
KAT2B Q92831 1/20 0.56

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
SCHEMBL17515275 0.85 MPI (0.78) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL1899594 0.85 MPI (0.74) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL6883780 0.80 MPI (0.67) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL2538424 0.80 MPI (1.00) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL29530129 0.79 MPI (0.65) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL1896513 0.79 MPI (0.65) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL1901601 0.79 MPI (0.65) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL2413025 0.76 MPI (1.00) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL8371855 0.76 MPI (0.68) MPIPMM2PHOSPHO1RAB9AAPOBEC3G
SCHEMBL1899155 0.75 MPI (0.60) MPIPMM2PHOSPHO1RAB9AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY WASHINGTON UNIVERSITY (US) 2017-05-18 US disclosed
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY WASHINGTON UNIVERSITY (US) 2017-05-18 US disclosed
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY WASHINGTON UNIVERSITY (US) 2017-05-18 US disclosed
US-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY UNIV WASHINGTON (US) 2016-02-18 US disclosed
US-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY UNIV WASHINGTON (US) 2016-02-18 US disclosed
US-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY UNIV WASHINGTON (US) 2016-02-18 US disclosed
US-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-10-20 US disclosed
WO-2011116355-A2 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 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 (3 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-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 MPI 10/4885PMM2 146/4885PHOSPHO1 342/4885
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 MPI 10/4885PMM2 146/4885PHOSPHO1 342/4885
US-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE MPI, PMM2, GPI MPI 1/4885PMM2 2/4885PHOSPHO1 2200/4885

“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.