SCHEMBL2413025

SCHEMBL2413025

Cc1cccc(-n2sc3ccccc3c2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 18/20 1.00
PMM2 O15305 16/20 1.00
PHOSPHO1 Q8TCT1 15/20 1.00
G6PD P11413 6/20 0.70
APOBEC3G Q9HC16 5/20 0.69
RAB9A P51151 4/20 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
NPC1 O15118 1/20 0.69
TP53 P04637 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
KDM5B Q9UGL1 1/20 0.69
HSP90AA1 P07900 1/20 0.68

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
SCHEMBL8371772 0.87 MPI (0.77) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL17515270 0.84 MPI (0.72) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL2539354 0.83 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL12230487 0.82 MPI (0.79) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL2443755 0.82 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL29910151 0.82 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL2538424 0.82 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL1898397 0.81 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL30562926 0.81 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL20022713 0.81 MPI (0.78) MPIPMM2PHOSPHO1G6PDAPOBEC3G

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-20240216365-A1 METHODS AND USES OF PROTEIN DISULFIDE ISOMERASE INHIBITORY COMPOUNDS THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-07-04 US disclosed
US-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-04-05 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
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
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 (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-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE PDIA5, PDIA4, PDIA6 MPI 438/4885PMM2 1389/4885PHOSPHO1 3773/4885
US-20240216365-A1 METHODS AND USES OF PROTEIN DISULFIDE ISOMERASE INHIBITORY COMPOUNDS PDIA3, PDIA4, PDIA5 MPI 320/4885PMM2 2820/4885PHOSPHO1 3756/4885
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.