SCHEMBL6124207

SCHEMBL6124207

C=Cc1cc(OS(=O)(=O)C(F)(F)F)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
HTR1D P28221 5/20 0.36
HTR1A P08908 4/20 0.36
HTR1B P28222 4/20 0.36
HSD11B1 P28845 1/20 0.36
CXCR2 P25025 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CXCR1 P25024 1/20 0.33
ERN1 O75460 1/20 0.33
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
EPAS1 Q99814 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL1477366 0.79 TRIM24 (0.56) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL3045676 0.79 TDP1 (0.46) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL1477280 0.77 CA1 (0.39) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL2001499 0.77 ALDH1A1 (0.63) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL5737700 0.76 CA1 (0.42) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL1477518 0.76 CA1 (0.40) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL6786223 0.75 PTPN1 (0.41) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL629648 0.73 ALDH1A1 (0.61) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL943450 0.73 TDP1 (0.42) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL710706 0.73 ALDH1A1 (0.61) CA1CA2ALDH1A1ERN1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750706-B1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS Univ Virginia Patent Found (US) 2016-10-05 EP disclosed
US-9133136-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-09-15 US disclosed
US-9133136-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-09-15 US disclosed
US-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-11-06 US disclosed
US-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-11-06 US disclosed
US-8642610-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-02-04 US disclosed
US-8642610-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-02-04 US disclosed
US-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 US disclosed
US-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 US disclosed
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-09 US disclosed
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-09 US disclosed
US-8178545-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-8178545-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 US disclosed
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-06-14 US disclosed
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-06-14 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 (4 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-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B CA1 3670/4885CA2 1545/4885HTR1D 4630/4885
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION TUBB3, TUBB1, TUBB CA1 993/4885CA2 1793/4885HTR1D 4626/4885
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B CA1 3670/4885CA2 1545/4885HTR1D 4630/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B CA1 3670/4885CA2 1545/4885HTR1D 4630/4885

“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.