SCHEMBL678113

SCHEMBL678113

O=C(O)c1cc(O)c(O)c(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL13926027 0.88 TOP1 (0.43) LMNA
SCHEMBL679014 0.87 ALDH1A1 (0.54) MAPTALDH1A1LMNA
SCHEMBL677628 0.83 PPARG (0.56) MAPTALDH1A1LMNA
SCHEMBL679409 0.81 ALDH1A1 (0.63) MAPTALDH1A1LMNA
SCHEMBL678892 0.81 PPARG (0.57) MAPTALDH1A1LMNA
SCHEMBL678481 0.81 ALDH1A1 (0.52) MAPTALDH1A1LMNA
SCHEMBL678402 0.81 ALDH1A1 (0.58) MAPTALDH1A1LMNA
SCHEMBL678514 0.80 MAPT (0.57) MAPTALDH1A1LMNA
SCHEMBL678163 0.80 LMNA (0.54) MAPTALDH1A1LMNA
SCHEMBL4878832 0.79 HTT (0.61) MAPTALDH1A1LMNA

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 9 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-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-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
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 MAPT 4872/4885ALDH1A1 3208/4885LMNA 3335/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 MAPT 4872/4885ALDH1A1 3208/4885LMNA 3335/4885

“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.