SCHEMBL2537991

SCHEMBL2537991

O=c1c2ccccc2sn1-c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPI P34949 16/20 1.00
PHOSPHO1 Q8TCT1 14/20 1.00
PMM2 O15305 14/20 1.00
G6PD P11413 5/20 0.68
TLR9 Q9NR96 1/20 0.68
APOBEC3G Q9HC16 4/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
PKM P14618 2/20 0.62
HSP90AA1 P07900 1/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
CASP3 P42574 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
IDE P14735 1/20 0.59
RAB9A P51151 3/20 0.56
MIF P14174 1/20 0.54

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
SCHEMBL17516051 0.85 MPI (0.74) MPIPHOSPHO1PMM2G6PDTLR9
SCHEMBL2538608 0.84 MPI (1.00) MPIPHOSPHO1PMM2G6PDTLR9
SCHEMBL20022713 0.81 MPI (0.78) MPIPHOSPHO1PMM2G6PDTLR9
SCHEMBL2539354 0.79 MPI (1.00) MPIPHOSPHO1PMM2G6PDAPOBEC3G
SCHEMBL17515273 0.78 MPI (0.64) MPIPHOSPHO1PMM2G6PDTLR9
SCHEMBL1898397 0.78 MPI (1.00) MPIPHOSPHO1PMM2G6PDTLR9
SCHEMBL30562926 0.78 MPI (1.00) MPIPHOSPHO1PMM2G6PDTLR9
SCHEMBL2470520 0.78 MPI (1.00) MPIPHOSPHO1PMM2G6PDAPOBEC3G
SCHEMBL2413025 0.78 MPI (1.00) MPIPHOSPHO1PMM2G6PDAPOBEC3G
SCHEMBL30738364 0.76 MPI (0.96) MPIPHOSPHO1PMM2G6PDTLR9

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 4 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
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 1/4885PHOSPHO1 2200/4885PMM2 2/4885

“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.