SCHEMBL3486249

SCHEMBL3486249

O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLI1 Q01543 5/20 0.73
EWSR1 Q01844 5/20 0.73
ERG P11308 1/20 0.73
ETV1 P50549 1/20 0.73
ALDH1A1 P00352 5/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
HTT P42858 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MMP9 P14780 7/20 0.60
MMP8 P22894 7/20 0.60
MMP2 P08253 6/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.48
CBX7 O95931 1/20 0.42
CDYL Q9Y232 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
SCHEMBL15337353 0.89 FLI1 (0.77) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL13253318 0.89 FLI1 (0.77) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL13253328 0.88 FLI1 (0.65) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL3486433 0.88 FLI1 (0.75) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL13253333 0.88 FLI1 (0.75) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL17679858 0.88 FLI1 (0.75) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL17679857 0.88 FLI1 (0.75) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL13253331 0.86 FLI1 (0.73) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL17679849 0.86 FLI1 (0.70) FLI1EWSR1ERGETV1ALDH1A1
SCHEMBL29810787 0.86 FLI1 (0.70) 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987251-B2 Indolinone compounds and uses thereof Oncternal Therapeutics, Inc. (US) 2018-06-05 US disclosed
US-9987251-B2 Indolinone compounds and uses thereof Oncternal Therapeutics, Inc. (US) 2018-06-05 US disclosed
US-9758481-B2 Targeting of EWS-FLI1 as anti-tumor therapy GEORGETOWN UNIVERSITY (US) 2017-09-12 US disclosed
US-9758481-B2 Targeting of EWS-FLI1 as anti-tumor therapy GEORGETOWN UNIVERSITY (US) 2017-09-12 US disclosed
US-9758481-B2 Targeting of EWS-FLI1 as anti-tumor therapy GEORGETOWN UNIVERSITY (US) 2017-09-12 US disclosed
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-9604927-B2 Indolinone compounds and uses thereof Oncternal Therapeutics, Inc. (US) 2017-03-28 US disclosed
US-20100167994-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY (US) 2010-07-01 US disclosed
US-20100167994-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY (US) 2010-07-01 US disclosed
US-20100093992-A1 Macromolecular Nucleotide Compounds and Methods for Using the Same PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2010-04-15 US disclosed
US-20100029494-A1 Macromolecular Nucleotide Compounds And Methods For Using The Same PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2010-02-04 US disclosed
US-20100004179-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY 2010-01-07 US disclosed
US-20100004179-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY 2010-01-07 US disclosed
US-20100004179-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY 2010-01-07 US disclosed
EP-2124910-A2 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY Georgetown University (US) 2009-12-02 EP disclosed
WO-2008083326-A2 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY (US) 2008-07-10 WO disclosed
WO-2008083326-A2 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY (US) 2008-07-10 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 (5 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-20100004179-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY EWSR1, FLI1, PELI1 FLI1 2/4885EWSR1 1/4885ERG 47/4885
US-20100093992-A1 Macromolecular Nucleotide Compounds and Methods for Using the Same NCL, PNP, NUDT1 FLI1 3474/4885EWSR1 2336/4885ERG 4849/4885
US-20170157089-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER MGMT, TP53, KRAS FLI1 527/4885EWSR1 17/4885ERG 530/4885
US-20100167994-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY EWSR1, FLI1, PELI1 FLI1 2/4885EWSR1 1/4885ERG 47/4885
US-20100029494-A1 Macromolecular Nucleotide Compounds And Methods For Using The Same DUT, SAMHD1, PNP FLI1 3617/4885EWSR1 1531/4885ERG 4364/4885

“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.