SCHEMBL678987

SCHEMBL678987

COC(=O)c1ccc(OC)c(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.62
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL678146 0.91 HDAC8 (0.62) HDAC8HDAC1HDAC6PPARGPPARA
SCHEMBL12356336 0.91 HDAC8 (0.62) HDAC8HDAC1HDAC6
SCHEMBL13925894 0.89 HDAC8 (0.62) HDAC8HDAC1HDAC6PPARGPPARA
SCHEMBL4585562 0.85 CASP3 (0.61) CASP3
SCHEMBL678898 0.81 RAB9A (0.61)
SCHEMBL4586837 0.81 TSHR (0.58)
SCHEMBL13925902 0.80 HDAC8 (0.62) HDAC8HDAC1HDAC6PPARGPPARA
SCHEMBL679053 0.78 ALDH1A1 (0.54)
SCHEMBL678050 0.76 ALDH1A1 (0.55) CASP3
SCHEMBL6266977 0.76 TP53 (0.69) HDAC8HDAC1HDAC6

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-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 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 (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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 HDAC8 4124/4885HDAC1 3623/4885HDAC6 3023/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 HDAC8 4124/4885HDAC1 3623/4885HDAC6 3023/4885

“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.