SCHEMBL2418151

SCHEMBL2418151

N#Cc1c(NS(N)(=O)=O)cccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.55
KIF11 P52732 1/20 0.46
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
PTGES2 Q9H7Z7 2/20 0.39
MEN1 O00255 1/20 0.38
CNR1 P21554 1/20 0.38
GPR183 P32249 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL2418703 0.80 KDM4E (0.44) SLC22A12KIF11CA2CA1PTGES2
SCHEMBL2413576 0.78 CA2 (0.43) SLC22A12KIF11CA2CA1PTGES2
SCHEMBL2417704 0.78 CA2 (0.43) SLC22A12KIF11MAPTMAPK1CACNA1B
SCHEMBL2418062 0.76 SLC22A12 (0.56) SLC22A12KIF11MAPTMAPK1CACNA1B
SCHEMBL27784411 0.76 CA1 (0.42) SLC22A12KIF11MAPTMAPK1CA2
SCHEMBL1620690 0.76 CA1 (0.46) SLC22A12KIF11CA2CA1CA12
SCHEMBL14067288 0.76 SLC22A12 (0.45) SLC22A12MAPTMAPK1CACNA1BAPBA1
Ammonia Solution, Strong SCHEMBL27806367 0.75 SLC22A12 (0.48) SLC22A12CA2CA1PTGES2MEN1
SCHEMBL1906819 0.74 AR (0.43) SLC22A12MAPTMAPK1CACNA1BAPBA1
SCHEMBL2418241 0.74 SLC22A12 (0.41) SLC22A12KIF11CA2CA1PTGES2

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
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
CN-101779124-B Modulation of chemosensory receptors and ligands associated therewith 西诺米克斯公司 2017-12-12 CN disclosed
CN-107365319-A The regulation carried out to actinism acceptor and relative part 西诺米克斯公司 2017-11-21 CN 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
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 CN 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 SLC22A12 2745/4885KIF11 4646/4885MAPT 3087/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 SLC22A12 2745/4885KIF11 4646/4885MAPT 3087/4885

“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.