SCHEMBL3270711

SCHEMBL3270711

COc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 1.00
CD74 P04233 5/20 1.00
POLB P06746 2/20 0.67
CBX7 O95931 2/20 0.58
CDYL2 Q8N8U2 2/20 0.58
CDYL Q9Y232 2/20 0.58
CDY1; CDY1B Q9Y6F8 2/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KMO O15229 1/20 0.57
IDO1 P14902 1/20 0.54
TNIK Q9UKE5 1/20 0.53

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
SCHEMBL29566638 0.91 MIF (1.00) MIFCD74POLBCBX7CDYL2
SCHEMBL18805682 0.91 MIF (1.00) MIFCD74POLBCBX7CDYL2
SCHEMBL244817 0.90 MIF (0.84) MIFCD74POLBCBX7CDYL2
SCHEMBL29566319 0.90 MIF (0.84) MIFCD74POLBCBX7CDYL2
SCHEMBL14898603 0.87 MIF (0.82) MIFCD74POLBCBX7CDYL2
SCHEMBL16565537 0.86 MIF (0.76) MIFCD74POLBCBX7CDYL2
SCHEMBL18805704 0.86 MIF (0.81) MIFCD74POLBMEN1KMT2A
SCHEMBL2757831 0.86 MIF (0.76) MIFCD74POLBMEN1KMT2A
SCHEMBL2547710 0.86 MIF (0.75) MIFCD74POLBCBX7CDYL2
SCHEMBL13981932 0.85 MIF (0.74) MIFCD74POLBCBX7CDYL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643922-B2 MIF modulators YALE UNIVERSITY (US) 2017-05-09 US claimed
US-20230404980-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF UNIVERSITY HEALTH NETWORK (CA) 2023-12-21 US disclosed
EP-4237002-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF University Health Network (CA) 2023-09-06 EP disclosed
WO-2022087719-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF UNIVERSITY HEALTH NETWORK (CA) 2022-05-05 WO disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US disclosed
US-20100267714-A1 MIF MODULATORS YALE UNIVERSITY 2010-10-21 US 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 (4 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-20120004261-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MIF 1/4885CD74 15/4885POLB 3527/4885
US-20100267714-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MIF 1/4885CD74 15/4885POLB 3527/4885
US-10202343-B2 MIF modulators MIF, HMGB2, HMGB3 MIF 1/4885CD74 15/4885POLB 3527/4885
US-20230404980-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF MIF, SPAST, MMP12 MIF 1/4885CD74 34/4885POLB 2828/4885

“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.