SCHEMBL22092579

SCHEMBL22092579

COc1cccc(-n2sc3c(F)cccc3c2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 1.00
MPI P34949 6/20 0.65
PMM2 O15305 5/20 0.65
KAT2B Q92831 2/20 0.60
G6PD P11413 1/20 0.48
PHOSPHO1 Q8TCT1 4/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL8370731 0.84 MIF (0.75) MIFMPIPMM2KAT2BG6PD
SCHEMBL2757828 0.80 MIF (0.74) MIFMPIPMM2KAT2BG6PD
SCHEMBL2538424 0.79 MPI (1.00) MIFMPIPMM2KAT2BG6PD
SCHEMBL22092498 0.77 MIF (1.00) MIFMPIPMM2KAT2BG6PD
SCHEMBL13086617 0.77 MIF (1.00) MIFMPIPMM2KAT2BG6PD
SCHEMBL8371737 0.74 MIF (0.59) MIFMPIPMM2KAT2BG6PD
SCHEMBL3949562 0.69 MPI (0.53) MIFMPIPMM2KAT2BG6PD
SCHEMBL8370730 0.69 PHOSPHO1 (0.57) MIFMPIPMM2KAT2BG6PD
SCHEMBL8369491 0.69 MPI (0.57) MIFMPIPMM2KAT2BG6PD
SCHEMBL8373532 0.69 MIF (0.74) MIFMPIPMM2G6PDPHOSPHO1

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-2020123610-A1 COMPOUNDS AND METHODS FOR TREATING COPD AND/OR LUNG FIBROSIS YALE UNIVERSITY (US) 2020-06-18 WO claimed
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

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-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MIF 1/4885MPI 102/4885PMM2 856/4885

“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.