SCHEMBL1823645

SCHEMBL1823645

CCC(=O)Nc1ccc(COc2ccc(OC(F)(F)F)c(Br)c2)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
PKM P14618 2/20 0.42
DVL1 O14640 1/20 0.42
ALDH1A1 P00352 3/20 0.41
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
IGF2BP2 Q9Y6M1 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
PPARD Q03181 1/20 0.39
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38

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
SCHEMBL1827003 0.88 PTGDR2 (0.47) KDM4EPKMDVL1ALDH1A1MEN1
SCHEMBL1824517 0.86 PTGDR2 (0.49) KDM4EPKMALDH1A1THRBTHRA
SCHEMBL1828195 0.86 MRGPRX4 (0.46) KDM4EPKMDVL1ALDH1A1THRB
SCHEMBL1824548 0.85 KDM4E (0.49) KDM4EPKMDVL1ALDH1A1THRB
SCHEMBL1825980 0.85 KDM4E (0.46) KDM4EPKMDVL1ALDH1A1THRB
SCHEMBL4437280 0.84 MRGPRX4 (0.39) THRBTHRAMRGPRX4
SCHEMBL1825345 0.84 KDM4E (0.44) KDM4EPKMDVL1ALDH1A1THRB
SCHEMBL4604536 0.83 RXRA (0.57) KDM4EPKMDVL1ALDH1A1MRGPRX4
SCHEMBL1825488 0.83 THRA (0.52) KDM4EPKMDVL1ALDH1A1THRB
SCHEMBL1826671 0.83 KDM4E (0.46) KDM4EPKMDVL1ALDH1A1THRB

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 14 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
EP-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP claimed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 WO 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 4207/4885PKM 3676/4885DVL1 4817/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KDM4E 4172/4885PKM 3671/4885DVL1 4821/4885

“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.