SCHEMBL13036716

SCHEMBL13036716

O=S(=O)(Cl)C(F)(F)C(F)(F)Sc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
HSD11B1 P28845 1/20 0.32
TERT O14746 1/20 0.32
KCNK2 O95069 2/20 0.31
KCNK10 P57789 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLCG1 P19174 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13036717 0.84 CA2 (0.39) CA2CA1CA5ACA9TERT
SCHEMBL5015191 0.82 CA2 (0.38) CA2CA1CA5ACA9TERT
SCHEMBL25118403 0.75 KDM4E (0.35) CA2CA1CA5ACA9KCNK2
SCHEMBL1260200 0.74 CYP2A6 (0.38) CA2CA1CA5ACA9TERT
SCHEMBL1230237 0.74 CYP2A6 (0.38) CA2CA1CA5ACA9TERT
SCHEMBL13807591 0.73 MEN1 (0.30) ALDH1A1
SCHEMBL13036718 0.71 TERT (0.35) CA2CA1CA5ACA9TERT
SCHEMBL16317228 0.70 KCNK2 (0.35) CA2CA1CA5ACA9TERT
SCHEMBL28535824 0.69 ALDH1A1 (0.40) CA2CA1CA5ACA9KCNK2
SCHEMBL381447 0.69 ALDH1A1 (0.58) CA2CA1CA5ACA9KCNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829603-B2 Stable trifluorostyrene containing compounds grafted to base polymers, and their use as polymer electrolyte membranes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-09 US disclosed
US-7829603-B2 Stable trifluorostyrene containing compounds grafted to base polymers, and their use as polymer electrolyte membranes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-09 US disclosed
US-20080032184-A1 Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes U.S. DEPARTMENT OF ENERGY 2008-02-07 US disclosed
US-20080032184-A1 Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes U.S. DEPARTMENT OF ENERGY 2008-02-07 US disclosed
US-20070208092-A1 Stable Trifluorostyrene Containing Compounds Grafted To Base Polymers, And Their Use As Polymer Electrolyte Membranes U.S. DEPARTMENT OF ENERGY 2007-09-06 US disclosed
US-20070208092-A1 Stable Trifluorostyrene Containing Compounds Grafted To Base Polymers, And Their Use As Polymer Electrolyte Membranes U.S. DEPARTMENT OF ENERGY 2007-09-06 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-20080032184-A1 Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes NHERF1, AFF1, SLCO2A1 CA2 510/4885CA1 1245/4885CA5A 2090/4885

“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.