SCHEMBL419017

SCHEMBL419017

Cc1ccc(S(=O)(=O)OCCn2c(CCN)nc3cc(Br)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.43
JAK1 P23458 4/20 0.43
TYK2 P29597 4/20 0.43
JAK3 P52333 4/20 0.43
CNR2 P34972 3/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 2/20 0.38
RECQL P46063 2/20 0.38
PAX8 Q06710 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL422578 0.92 PARP1 (0.39) JAK2JAK1TYK2JAK3PARP1
SCHEMBL13259047 0.92 JAK2 (0.46) JAK2JAK1TYK2JAK3CNR2
SCHEMBL7887156 0.88 JAK2 (0.43) JAK2JAK1TYK2JAK3CNR2
SCHEMBL13259276 0.88 JAK2 (0.43) JAK2JAK1TYK2JAK3CNR2
SCHEMBL6896271 0.86 PARP1 (0.37) CNR2PARP1ALDH1A1TSHRLMNA
SCHEMBL421639 0.84 ENPP3 (0.37) JAK2JAK1TYK2JAK3CNR2
SCHEMBL13259051 0.82 TSHR (0.39) JAK2JAK1TYK2JAK3CNR2
SCHEMBL420597 0.81 GNRHR (0.48) TP53THRBRECQL
SCHEMBL6895828 0.81 HTR6 (0.41) CNR2PARP1PAX8
SCHEMBL10176974 0.80 CNR2 (0.47) CNR2ALDH1A1TSHRLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 JAK2 1041/4885JAK1 1807/4885TYK2 917/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 JAK2 1041/4885JAK1 1807/4885TYK2 917/4885

“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.