SCHEMBL677703

SCHEMBL677703

COC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.86
PTPN1 P18031 3/20 0.74
TRPV1 Q8NER1 1/20 0.71
PARP1 P09874 1/20 0.70
ADORA3 P0DMS8 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.66
NPC1 O15118 3/20 0.66
PLAU P00749 2/20 0.66
MAPT P10636 2/20 0.66
HTT P42858 1/20 0.66
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
KCNK9 Q9NPC2 2/20 0.63
POLB P06746 1/20 0.61
KCNK3 O14649 1/20 0.61
NLRP3 Q96P20 1/20 0.61

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
SCHEMBL677770 0.93 RAB9A (1.00) RAB9APTPN1SMN1; SMN2NPC1MAPT
SCHEMBL25138816 0.88 RAB9A (0.91) RAB9APTPN1SMN1; SMN2NPC1MAPT
SCHEMBL4359849 0.88 PTPN1 (0.73) RAB9APTPN1TRPV1PARP1ADORA3
SCHEMBL5943954 0.87 PTPN1 (0.76) RAB9APTPN1TRPV1PARP1ADORA3
SCHEMBL22223646 0.87 PTPN1 (0.76) RAB9APTPN1SMN1; SMN2NPC1PLAU
SCHEMBL6454019 0.87 KMT2A (0.78) RAB9APTPN1TRPV1PARP1ADORA3
SCHEMBL774860 0.87 RAB9A (0.64) RAB9APTPN1TRPV1PARP1SMN1; SMN2
SCHEMBL23070479 0.85 RAB9A (0.80) RAB9APTPN1SMN1; SMN2NPC1MAPT
SCHEMBL14075235 0.85 PARP1 (0.78) RAB9APTPN1TRPV1PARP1SMN1; SMN2
SCHEMBL22223650 0.85 PTPN1 (0.94) RAB9APTPN1TRPV1SMN1; SMN2NPC1

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-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
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 RAB9A 1654/4885PTPN1 3536/4885TRPV1 1389/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 RAB9A 1654/4885PTPN1 3536/4885TRPV1 1389/4885

“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.