SCHEMBL12230486

SCHEMBL12230486

O=c1c2cc(F)ccc2sn1-c1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPI P34949 13/20 1.00
G6PD P11413 6/20 0.74
PHOSPHO1 Q8TCT1 10/20 0.68
PMM2 O15305 8/20 0.68
APOBEC3G Q9HC16 6/20 0.68
TLR9 Q9NR96 1/20 0.68
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MIF P14174 3/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL12230503 0.88 MPI (0.78) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL12230504 0.85 MPI (0.80) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL8373005 0.84 G6PD (1.00) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL8369517 0.82 G6PD (0.72) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL29523603 0.81 MPI (1.00) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL1900805 0.81 MPI (1.00) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL29522746 0.78 MPI (1.00) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL1897445 0.78 MPI (1.00) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL2539041 0.77 MPI (1.00) MPIG6PDPHOSPHO1PMM2APOBEC3G
SCHEMBL12230502 0.75 MPI (1.00) MPIG6PDPHOSPHO1PMM2APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885G6PD 13/4885PHOSPHO1 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.