SCHEMBL7797618

SCHEMBL7797618

OCCNC(=S)NCc1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.79
ATG4B Q9Y4P1 2/20 0.79
MAOB P27338 1/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 4/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX12 P18054 3/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL7802158 0.82 MEN1 (0.53) PLA2G1BATG4BKMT2AMEN1GAA
SCHEMBL344132 0.82 MEN1 (0.53) PLA2G1BATG4BKMT2AMEN1LMNA
SCHEMBL5878389 0.81 ALOX12 (0.77) PLA2G1BATG4BMAOBKMT2AMEN1
SCHEMBL20496874 0.78 PLA2G1B (0.78) PLA2G1BATG4BMAOBKMT2AMEN1
SCHEMBL7791780 0.78 MEN1 (0.51) PLA2G1BATG4BKMT2AMEN1LMNA
SCHEMBL7800153 0.77 PLA2G1B (0.46) PLA2G1BATG4BKMT2AMEN1LMNA
SCHEMBL11206964 0.76 CDK1 (0.68) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL12049602 0.76 PLA2G1B (0.73) PLA2G1BATG4B
SCHEMBL7798360 0.76 PLA2G1B (0.45) PLA2G1BATG4BKMT2ALMNA
SCHEMBL12049612 0.76 PLA2G1B (0.61) PLA2G1BATG4B

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 25 patents — showing the first 20. 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-7754768-B2 Methods and compositions for modulating alpha adrenergic receptor activity ALLERGAN, INC. (US) 2010-07-13 US disclosed
US-7754768-B2 Methods and compositions for modulating alpha adrenergic receptor activity ALLERGAN, INC. (US) 2010-07-13 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-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080132576-A1 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY ALLERGAN, INC. 2008-06-05 US disclosed
US-20080132576-A1 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY ALLERGAN, INC. 2008-06-05 US disclosed
US-7335803-B2 Methods and compositions for modulating alpha adrenergic receptor activity ALLERGAN, INC. (US) 2008-02-26 US disclosed
US-7335803-B2 Methods and compositions for modulating alpha adrenergic receptor activity ALLERGAN, INC. (US) 2008-02-26 US disclosed
WO-2007041435-A1 METHODS FOR TREATING PAIN AND HYPERHIDROSIS ALLERGAN, INC. (US) 2007-04-12 WO disclosed
US-20070048335-A1 Methods for treating pain and hyperhidrosis ALLERGAN, INC. (US) 2007-03-01 US disclosed
US-20070048335-A1 Methods for treating pain and hyperhidrosis ALLERGAN, INC. (US) 2007-03-01 US disclosed
WO-2003035178-A1 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2003-05-01 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 (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 2611/4885MAOB 53/4885
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, GPBAR1, MLNR PLA2G1B 390/4885ATG4B 1402/4885MAOB 402/4885
US-20070048335-A1 Methods for treating pain and hyperhidrosis ADRA2A, OPRL1, OPRK1 PLA2G1B 421/4885ATG4B 4049/4885MAOB 957/4885
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 PLA2G1B 337/4885ATG4B 2312/4885MAOB 689/4885
US-20080132576-A1 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY ADRB2, ADRA2A, ADRB1 PLA2G1B 236/4885ATG4B 3909/4885MAOB 747/4885
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS HTR2B, HTR4, HTR3B PLA2G1B 354/4885ATG4B 472/4885MAOB 114/4885

“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.