SCHEMBL494069

SCHEMBL494069

O=S(=O)([O-])CC(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 1/20 0.37
CA5A P35218 1/20 0.37
PTPN1 P18031 3/20 0.37
CA12 O43570 2/20 0.35
GPR3 P46089 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CETP P11597 1/20 0.32
FAAH O00519 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
ELANE P08246 1/20 0.31
PRTN3 P24158 1/20 0.31
PRSS3 P35030 1/20 0.31
NR1I2 O75469 4/20 0.31
HSD11B1 P28845 1/20 0.30
RIPK1 Q13546 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
SCHEMBL8651814 0.84 CETP (0.33) ALDH1A1CETP
SCHEMBL8646729 0.84 CETP (0.33) ALDH1A1CETP
SCHEMBL3791468 0.83 HSD11B1 (0.36) CA2CA9CA1CA5APTPN1
SCHEMBL8645382 0.81 CETP (0.40) PTPN1ALDH1A1CETP
SCHEMBL8647876 0.81 CETP (0.40) PTPN1ALDH1A1CETP
Trifluoromethanesulfonic Acid SCHEMBL31155703 0.80 GPR3 (0.50) CA2CA9CA1CA5APTPN1
Trifluoromethanesulfonic Acid SCHEMBL37032 0.80 GPR3 (0.50) CA2CA9CA1CA5APTPN1
SCHEMBL8651440 0.80 CETP (0.35) PTPN1RORCCETPNR1I2
SCHEMBL31188409 0.80 PABPC1 (0.38) CA2CA9CA1CA5APTPN1
SCHEMBL8649086 0.79 MMP3 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-8105746-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2012-01-31 US disclosed
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-01-29 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 (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-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 CA2 4038/4885CA9 3082/4885CA1 3162/4885
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 CA2 3927/4885CA9 2581/4885CA1 2994/4885

“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.