SCHEMBL7792691

SCHEMBL7792691

OCCNC(=S)NCc1c(F)cc(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
LMNA P02545 2/20 0.36
CDK1 P06493 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NSD2 O96028 1/20 0.33
BLM P54132 1/20 0.33
POLB P06746 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALPL P05186 1/20 0.31

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
SCHEMBL7798357 0.90 PLA2G1B (0.38) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL7792094 0.86 LMNA (0.39) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL8057678 0.86 KMT2A (0.38) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL7792414 0.83 PLA2G1B (0.38) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL7798475 0.81 KMT2A (0.36) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL343716 0.79 ALDH1A1 (0.34) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL7797884 0.77 PLA2G1B (0.37) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL7797801 0.77 LMNA (0.46) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL7802391 0.77 USP28 (0.38) PLA2G1BATG4BLMNACDK1KMT2A
SCHEMBL7801000 0.77 KMT2A (0.43) PLA2G1BATG4BLMNACDK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013074320-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2013-05-23 WO disclosed
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2012-04-05 US disclosed
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2012-04-05 US disclosed
US-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN GIL DANIEL W 2010-01-21 US disclosed
US-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN GIL DANIEL W 2010-01-21 US disclosed
WO-2008079720-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATNG CHRONIC PAIN ALLERGAN, INC. (US) 2008-07-03 WO disclosed
WO-2008079728-A2 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2008-07-03 WO disclosed
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN INC. 2008-06-26 US disclosed
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN INC. 2008-06-26 US disclosed
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN INC. 2008-06-26 US disclosed
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN INC. 2008-06-26 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 (6 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-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN ADRA2B, ADRA1B, ADRB1 PLA2G1B 497/4885ATG4B 2611/4885LMNA 2516/4885
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, GPBAR1, MLNR PLA2G1B 390/4885ATG4B 1402/4885LMNA 3459/4885
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 PLA2G1B 337/4885ATG4B 2312/4885LMNA 3481/4885
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, ADRA1B, CCKBR PLA2G1B 262/4885ATG4B 1725/4885LMNA 2015/4885
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS HTR2B, HTR4, HTR3B PLA2G1B 354/4885ATG4B 472/4885LMNA 3387/4885
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 PLA2G1B 337/4885ATG4B 2312/4885LMNA 3481/4885

“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.