SCHEMBL2535768

SCHEMBL2535768

COc1ccc(-n2sc3ccc(F)cc3c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPI P34949 12/20 1.00
MIF P14174 7/20 1.00
PMM2 O15305 7/20 1.00
PHOSPHO1 Q8TCT1 6/20 1.00
APOBEC3G Q9HC16 5/20 1.00
RAB9A P51151 2/20 1.00
NPC1 O15118 1/20 1.00
G6PD P11413 5/20 0.78
TLR9 Q9NR96 1/20 0.69
KAT2B Q92831 2/20 0.58

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
SCHEMBL12253284 0.89 MIF (1.00) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL29522746 0.88 MPI (1.00) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL1897445 0.88 MPI (1.00) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL22092498 0.88 MIF (1.00) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL12230485 0.85 MPI (0.82) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL29530229 0.83 MPI (0.70) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL12253283 0.83 MPI (0.70) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL1896419 0.83 MPI (0.70) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL2411826 0.82 MIF (1.00) MPIMIFPMM2PHOSPHO1APOBEC3G
SCHEMBL1900805 0.82 MPI (1.00) MPIMIFPMM2PHOSPHO1APOBEC3G

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
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
WO-2020123610-A1 COMPOUNDS AND METHODS FOR TREATING COPD AND/OR LUNG FIBROSIS YALE UNIVERSITY (US) 2020-06-18 WO disclosed
WO-2020123610-A1 COMPOUNDS AND METHODS FOR TREATING COPD AND/OR LUNG FIBROSIS YALE UNIVERSITY (US) 2020-06-18 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 (2 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-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MPI 102/4885MIF 1/4885PMM2 856/4885
US-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE MPI, PMM2, GPI MPI 1/4885MIF 459/4885PMM2 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.