SCHEMBL1827641

SCHEMBL1827641

O=C(O)c1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1NC(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
LIPC P11150 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
SRD5A2 P31213 1/20 0.46
BRAF P15056 6/20 0.45
KDR P35968 6/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 3/20 0.44
F10 P00742 1/20 0.43
ABL1 P00519 1/20 0.42
SRD5A1 P18405 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL1826827 0.91 KDM4E (0.50) KDM4EHSD17B10LIPCLIPGBRAF
SCHEMBL1826748 0.91 KDM4E (0.50) KDM4EHSD17B10BRAFKDRF10
SCHEMBL1824122 0.90 KDM4E (0.49) KDM4EHSD17B10LIPCLIPGSRD5A2
SCHEMBL1826609 0.90 KDM4E (0.49) KDM4EHSD17B10LIPCLIPGBRAF
SCHEMBL1825088 0.90 KDM4E (0.49) KDM4EHSD17B10BRAFKDRMEN1
SCHEMBL1825885 0.90 KDM4E (0.49) KDM4EHSD17B10BRAFKDRKMT2A
SCHEMBL4604187 0.89 KDM4E (0.52) KDM4EHSD17B10RXFP1
SCHEMBL1827618 0.87 SRD5A2 (0.47) KDM4ELIPCLIPGSRD5A2SRD5A1
SCHEMBL4448039 0.86 KDM4E (0.41) KDM4EHSD17B10BRAFKDRMEN1
SCHEMBL4605969 0.84 NR4A2 (0.57) KDM4EHSD17B10RXFP1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461205-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2013-06-11 US claimed
US-20120283326-A1 ANTHRANILIC ACID DERIVATIVES CHELSEA THERAPEUTICS, INC. 2012-11-08 US claimed
US-8263658-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2012-09-11 US claimed
EP-2118051-B1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS INC (US) 2011-05-04 EP claimed
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES Chelsea Therapeutics, Inc 2010-02-04 US claimed
US-8461205-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2013-06-11 US disclosed
US-20120283326-A1 ANTHRANILIC ACID DERIVATIVES CHELSEA THERAPEUTICS, INC. 2012-11-08 US disclosed
US-8263658-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2012-09-11 US disclosed
EP-2118051-B1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS INC (US) 2011-05-04 EP disclosed
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES Chelsea Therapeutics, Inc 2010-02-04 US disclosed
EP-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP disclosed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 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 (2 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-20120283326-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KDM4E 4207/4885HSD17B10 1370/4885LIPC 3391/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KDM4E 4172/4885HSD17B10 1349/4885LIPC 3341/4885

“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.