SCHEMBL16503534

SCHEMBL16503534

CC(C)(C)C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
MGLL Q99685 1/20 0.33
DRD5 P21918 1/20 0.33
P2RY6 Q15077 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
IDO1 P14902 2/20 0.32
MAPT P10636 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
GRM5 P41594 2/20 0.31
AR P10275 1/20 0.31
XPO1 O14980 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31

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
SCHEMBL6604777 0.83 CES2 (0.38) CES2MGLLTAS2R14MAPTRAPGEF4
SCHEMBL17036543 0.80 GRM5 (0.50) CES2MGLLGRM5TSHR
SCHEMBL13597749 0.78 KIF11 (0.45) CES2MGLLDRD5P2RY6ALDH1A1
SCHEMBL7997120 0.77 TAS2R14 (0.47) CES2TAS2R14IDO1MAPTRAPGEF4
SCHEMBL5540303 0.73 CES2 (0.38) CES2TAS2R14IDO1MAPTRAPGEF4
SCHEMBL19385736 0.72 GABRA1 (0.34) CES2TAS2R14IDO1MAPTRAPGEF4
SCHEMBL9996641 0.72 CES2 (0.41) CES2IDO1MAPTRAPGEF4AR
SCHEMBL6227551 0.71 CES2 (0.44) CES2IDO1MAPTRAPGEF4XPO1
SCHEMBL22225454 0.70 APP (0.52) TAS2R14IDO1MAPTGRM5ALDH1A1
SCHEMBL24835068 0.69 KIF11 (0.41) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-9079869-B2 Chiral disulfonimides STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-07-14 US disclosed
US-20110313150-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-12-22 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 (1 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-20110313150-A1 CHIRAL DISULFONIMIDES STS, SUDS3, SF1 CES2 122/4885MGLL 2225/4885DRD5 168/4885

“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.