SCHEMBL2538424

SCHEMBL2538424

COc1cccc(-n2sc3ccccc3c2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 14/20 1.00
PMM2 O15305 13/20 1.00
G6PD P11413 5/20 0.76
MIF P14174 3/20 0.71
PHOSPHO1 Q8TCT1 12/20 0.69
APOBEC3G Q9HC16 5/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
MAPT P10636 3/20 0.69
PKM P14618 3/20 0.69
HPGD P15428 2/20 0.69
ALOX12 P18054 2/20 0.69
CASP3 P42574 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
HSP90AA1 P07900 1/20 0.69
RAB9A P51151 4/20 0.66
KAT2B Q92831 1/20 0.64
NPC1 O15118 1/20 0.61
TP53 P04637 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
SCHEMBL8373420 0.88 G6PD (0.80) MPIPMM2G6PDMIFPHOSPHO1
SCHEMBL17502105 0.87 MPI (0.76) MPIPMM2G6PDMIFPHOSPHO1
SCHEMBL1897990 0.86 G6PD (1.00) MPIPMM2G6PDMIFPHOSPHO1
SCHEMBL8373532 0.84 MIF (0.74) MPIPMM2G6PDMIFPHOSPHO1
SCHEMBL8372534 0.84 MPI (0.72) MPIPMM2G6PDMIFPHOSPHO1
SCHEMBL22092498 0.83 MIF (1.00) MPIPMM2G6PDMIFPHOSPHO1
SCHEMBL1898397 0.82 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL30562926 0.82 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL2413025 0.82 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL8370795 0.81 G6PD (0.69) MPIPMM2G6PDPHOSPHO1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO disclosed
US-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-10-20 US disclosed
US-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-10-20 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
EP-0644243-B1 Anti-fouling compositions or fouling control of harmful aquatic oranisms SUMITOMO CHEMICAL CO (JP) 1999-01-27 EP 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 (1 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-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE MPI, PMM2, GPI MPI 1/4885PMM2 2/4885G6PD 13/4885

“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.