SCHEMBL2415372

SCHEMBL2415372

CC(=O)OCC(C)(C)COc1cccc(NS(N)(=O)=O)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 6/20 0.34
BRAF P15056 2/20 0.33
AR P10275 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
SSTR4 P31391 1/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL2416431 0.88 MRGPRX1 (0.35) MRGPRX1BRAFTHRBTDP1RXFP1
SCHEMBL2420706 0.84 BRAF (0.37) MRGPRX1BRAFNPC1RAB9ASLC22A12
SCHEMBL16479655 0.84 SSTR4 (0.36) MRGPRX1BRAFNPC1ALDH1A1RAB9A
SCHEMBL2416464 0.83 NFKB1 (0.34) MRGPRX1BRAFSMN1; SMN2NPSR1KDM4E
SCHEMBL623889 0.82 BRAF (0.36) MRGPRX1BRAFNPC1RAB9ASLC22A12
SCHEMBL618976 0.82 SSTR4 (0.39) MRGPRX1BRAFSLC22A12SSTR4
SCHEMBL15972868 0.82 BRAF (0.37) MRGPRX1BRAFSMN1; SMN2NPSR1KDM4E
SCHEMBL2416753 0.82 MRGPRX1 (0.32) MRGPRX1BRAFSMN1; SMN2SLC22A12
SCHEMBL619331 0.82 RAB9A (0.37) MRGPRX1BRAFSMN1; SMN2NPSR1KDM4E
SCHEMBL2416035 0.81 BRAF (0.35) BRAFSMN1; SMN2ALDH1A1THRBTDP1

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 MRGPRX1 138/4885BRAF 2566/4885AR 761/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 MRGPRX1 138/4885BRAF 2566/4885AR 761/4885

“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.