SCHEMBL2417868

SCHEMBL2417868

N#Cc1c(NS(N)(=O)=O)cccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 7/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.43
AR P10275 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.42
VEGFA P15692 1/20 0.42
GRM2 Q14416 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACLY P53396 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL621125 0.87 NPC1 (0.50) SGMS2NPC1RAB9AALDH1A1MAPT
SCHEMBL620323 0.85 ABCB1 (0.46) MRGPRX4NPC1RAB9AMAOB
SCHEMBL620839 0.84 NPC1 (0.37) SGMS2MRGPRX4NPC1RAB9APTGES2
SCHEMBL618986 0.83 CA12 (0.45) NPC1RAB9APTGES2ALDH1A1KDM4E
SCHEMBL2413234 0.83 PTGES2 (0.42) PTGES2ALDH1A1MAPTLMNACA12
SCHEMBL3815586 0.82 KDM4E (0.40) MRGPRX4ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL618909 0.81 BRAF (0.41) NPC1RAB9APTGES2ALDH1A1MAPT
SCHEMBL2418125 0.80 MAPT (0.50) MAPTACLYCA12CA1CA2
SCHEMBL2417251 0.80 IKBKB (0.37) CA1CA2
SCHEMBL2414259 0.80 MRGPRX1 (0.43) CA1CA2

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
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 SGMS2 2171/4885MRGPRX4 154/4885NPC1 2949/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 SGMS2 2171/4885MRGPRX4 154/4885NPC1 2949/4885

“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.