SCHEMBL15337353

SCHEMBL15337353

O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLI1 Q01543 5/20 0.77
EWSR1 Q01844 5/20 0.77
ERG P11308 1/20 0.77
ETV1 P50549 1/20 0.77
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MMP9 P14780 6/20 0.48
MMP8 P22894 6/20 0.48
MMP2 P08253 5/20 0.47
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
CBX7 O95931 1/20 0.42

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
SCHEMBL3486249 0.89 FLI1 (0.73) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL29399443 0.87 FLI1 (1.00) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL19829781 0.87 FLI1 (1.00) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL3486735 0.87 FLI1 (1.00) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL19829782 0.87 FLI1 (1.00) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL15337268 0.85 FLI1 (0.78) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL13253318 0.84 FLI1 (0.77) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL15337357 0.84 FLI1 (0.77) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL22199725 0.84 FLI1 (0.77) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL19432898 0.84 FLI1 (0.77) FLI1EWSR1ERGETV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714222-B2 Methods and compositions for treating Ewings sarcoma family of tumors GEORGETOWN UNIVERSITY (US) 2017-07-25 US disclosed
US-9714222-B2 Methods and compositions for treating Ewings sarcoma family of tumors GEORGETOWN UNIVERSITY (US) 2017-07-25 US disclosed
US-20170157089-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER NIH - DEITR 2017-06-08 US disclosed
US-20170157089-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER NIH - DEITR 2017-06-08 US disclosed
US-9511050-B2 Methods and compositions for treating cancer GEORGETOWN UNIVERSITY (US) 2016-12-06 US disclosed
US-9511050-B2 Methods and compositions for treating cancer GEORGETOWN UNIVERSITY (US) 2016-12-06 US disclosed
US-20160263086-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GEORGETOWN UNIVERSITY (US) 2016-09-15 US disclosed
US-20160263086-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GEORGETOWN UNIVERSITY (US) 2016-09-15 US disclosed
US-20160159741-A1 METHODS AND COMPOSITIONS FOR TREATING EWINGS SARCOMA FAMILY OF TUMORS GEORGETOWN UNIVERSITY 2016-06-09 US disclosed
US-20160159741-A1 METHODS AND COMPOSITIONS FOR TREATING EWINGS SARCOMA FAMILY OF TUMORS GEORGETOWN UNIVERSITY 2016-06-09 US disclosed
US-9290449-B2 Methods and compositions for treating Ewings sarcoma family of tumors GEORGETOWN UNIVERSITY (US) 2016-03-22 US disclosed
US-9290449-B2 Methods and compositions for treating Ewings sarcoma family of tumors GEORGETOWN UNIVERSITY (US) 2016-03-22 US disclosed
US-20150051260-A1 METHODS AND COMPOSITIONS FOR TREATING EWINGS SARCOMA FAMILY OF TUMORS GEORGETOWN UNIVERSITY (US) 2015-02-19 US disclosed
US-20150051260-A1 METHODS AND COMPOSITIONS FOR TREATING EWINGS SARCOMA FAMILY OF TUMORS GEORGETOWN UNIVERSITY (US) 2015-02-19 US disclosed
WO-2013155341-A1 METHODS AND COMPOSITIONS FOR TREATING EWINGS SARCOMA FAMILY OF TUMORS GEORGETOWN UNIVERSITY (US) 2013-10-17 WO 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-20150051260-A1 METHODS AND COMPOSITIONS FOR TREATING EWINGS SARCOMA FAMILY OF TUMORS EWSR1, FLI1, CDC73 FLI1 2/4885EWSR1 1/4885ERG 81/4885
US-20170157089-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER MGMT, TP53, KRAS FLI1 527/4885EWSR1 17/4885ERG 530/4885
US-20160159741-A1 METHODS AND COMPOSITIONS FOR TREATING EWINGS SARCOMA FAMILY OF TUMORS EWSR1, FLI1, CDC73 FLI1 2/4885EWSR1 1/4885ERG 81/4885
US-20160263086-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER MGMT, TP53, KRAS FLI1 527/4885EWSR1 17/4885ERG 530/4885

“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.