SCHEMBL3136104

SCHEMBL3136104

CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.37
TACR1 P25103 5/20 0.34
P2RX1 P51575 1/20 0.34
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
RAPGEF3 O95398 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
TSHR P16473 1/20 0.33
NPBWR1 P48145 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
PDE2A O00408 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 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
SCHEMBL3130125 1.00 KIF11 (0.37) KIF11TACR1P2RX1ALDH1A1BACE1
SCHEMBL3139294 0.91 KIF11 (0.46) KIF11TACR1P2RX1ALDH1A1BACE1
SCHEMBL3144568 0.91 KIF11 (0.46) KIF11TACR1P2RX1ALDH1A1BACE1
SCHEMBL3244276 0.89 TSHR (0.41) KIF11TACR1P2RX1ALDH1A1TSHR
SCHEMBL3139818 0.87 NFE2L2 (0.39) KIF11TACR1P2RX1ALDH1A1TSHR
SCHEMBL3132670 0.87 NFE2L2 (0.39) KIF11TACR1P2RX1ALDH1A1TSHR
SCHEMBL3130049 0.85 TDP1 (0.36) KIF11TACR1P2RX1ALDH1A1TSHR
SCHEMBL3137155 0.85 TDP1 (0.36) KIF11TACR1P2RX1ALDH1A1TSHR
SCHEMBL3134861 0.84 CYP19A1 (0.35) KIF11ALDH1A1PPARGTSHRKDM4E
SCHEMBL3130596 0.84 KIF11 (0.37) KIF11TACR1P2RX1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
US-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2007-04-12 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 (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-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid ARSA, HAO2, HAO1 KIF11 4608/4885TACR1 621/4885P2RX1 87/4885

“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.