SCHEMBL6124198

SCHEMBL6124198

CC(C)(C)OC(=O)Nc1c(F)c(F)c(F)c(F)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.36
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CTSS P25774 1/20 0.34
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MIF P14174 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP17A1 P05093 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL6124199 0.85 MEN1 (0.43) ATRCA1CA2CTSSLMNA
SCHEMBL31290291 0.84 CTSS (0.42) ATRCA1CA2CTSSLMNA
SCHEMBL20865565 0.78 ATR (0.40) ATRCA1CA2CTSSLMNA
SCHEMBL17643122 0.73 CA12 (0.39) CA1CYP17A1SYK
SCHEMBL27633285 0.73 MEN1 (0.45) ATRCTSSPOLBTSHRMEN1
SCHEMBL31124393 0.72 ATR (0.37) ATRCA1CA2CTSSLMNA
SCHEMBL31124321 0.71 ATR (0.41) ATRCA1CTSSLMNAPOLB
SCHEMBL13595531 0.71 CA1 (0.43) CA1CA2CTSSMAOAMAOB
SCHEMBL29140715 0.71 ATR (0.36) ATRCA1CA2CTSSLMNA
SCHEMBL31124503 0.71 CA1 (0.39) ATRCA1CA2CTSSLMNA

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 ATR 676/4885CA1 3670/4885CA2 1545/4885
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION TUBB3, TUBB1, TUBB ATR 2825/4885CA1 993/4885CA2 1793/4885
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B ATR 676/4885CA1 3670/4885CA2 1545/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B ATR 676/4885CA1 3670/4885CA2 1545/4885

“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.

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