SCHEMBL3141391

SCHEMBL3141391

O=S(=O)(OS(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.44
CA2 P00918 11/20 0.44
HSD11B1 P28845 1/20 0.39
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1I2 O75469 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34

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
SCHEMBL3136040 0.99 CA1 (0.45) CA1CA2HSD11B1ESR2ESR1
SCHEMBL1615067 0.96 ESR1 (0.39) CA1CA2HSD11B1ESR2ESR1
SCHEMBL4578718 0.94 CA1 (0.48) CA1CA2ESR2ESR1MMP1
SCHEMBL51400 0.91 CA1 (0.43) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL4535203 0.90 CA2 (0.44) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL60138 0.90 CA2 (0.44) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL965542 0.90 CA2 (0.44) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL60438 0.90 CA2 (0.44) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL1804334 0.87 CA1 (0.42) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL3132394 0.87 CA1 (0.42) CA1CA2HSD11B1NR1H2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070111138-A1 Photoactive compounds MERCK PATENT GMBH (DE) 2007-05-17 US claimed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
EP-2895468-A2 DEVELOPABLE BOTTOM ANTI-REFLECTIVE COATING AZ Electronic Materials (Luxembourg) S.à.r.l. (LU) 2015-07-22 EP disclosed
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-8900797-B2 Developable bottom anti-reflective coating AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (LU) 2014-12-02 US disclosed
US-20140087311-A1 DEVELOPABLE BOTTOM ANTI-REFLECTIVE COATING AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (US) 2014-03-27 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
US-7678528-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-03-16 US disclosed
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-20070111138-A1 Photoactive compounds MERCK PATENT GMBH (DE) 2007-05-17 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
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 EP 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 (3 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 CA1 96/4885CA2 38/4885HSD11B1 718/4885
US-20100119972-A1 COATING COMPOSITION S100A9, CAPG, C5 CA1 382/4885CA2 2450/4885HSD11B1 3833/4885
US-20140087311-A1 DEVELOPABLE BOTTOM ANTI-REFLECTIVE COATING ALKBH5, METTL14, SETD7 CA1 2800/4885CA2 3977/4885HSD11B1 3040/4885

“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.