SCHEMBL678667

SCHEMBL678667

CC1=C(c2cccnc2)CCC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.60
CYP11B2 P19099 3/20 0.60
CYP19A1 P11511 2/20 0.60
CYP17A1 P05093 1/20 0.60
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
CYP1A2 P05177 3/20 0.49
CYP2A6 P11509 5/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
SRD5A1 P18405 1/20 0.46
THRB P10828 1/20 0.45
CYP2C19 P33261 1/20 0.45
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
BTK Q06187 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
ALK Q9UM73 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL31678688 0.77 PTGS2 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1PTGS1
SCHEMBL11083179 0.76 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1CYP17A1PTGS1
SCHEMBL4514804 0.76 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL7495373 0.70 PTGS2 (1.00) PTGS1PTGS2
Hydrochloric Acid SCHEMBL8328212 0.69 PTGS2 (0.97) PTGS1PTGS2
SCHEMBL678387 0.69 NPC1 (0.56) CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL677803 0.69 CYP2A6 (0.44) CYP19A1CYP2A6
SCHEMBL16539483 0.69 LMNA (0.51) ALDH1A1KMT2A
SCHEMBL30473120 0.67 CYP2A6 (1.00) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL29419014 0.67 CYP2A6 (1.00) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2

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 12 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
EP-2166841-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE Mission Pharmacal Company (US) 2010-03-31 EP 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
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 WO disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 CYP11B1 713/4885CYP11B2 839/4885CYP19A1 3112/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 CYP11B1 713/4885CYP11B2 839/4885CYP19A1 3112/4885

“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.