SCHEMBL1827561

SCHEMBL1827561

CCC(=O)Nc1ccc(COc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
MRGPRX4 Q96LA9 14/20 0.54
PLK1 P53350 1/20 0.48
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
LRRK2 Q5S007 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
SCHEMBL1825124 0.90 MRGPRX4 (0.57) RXRARXRBRXRGMRGPRX4KDM4E
SCHEMBL1827099 0.90 MRGPRX4 (0.58) RXRARXRBRXRGMRGPRX4PLK1
SCHEMBL4437319 0.89 MRGPRX4 (0.56) RXRARXRBRXRGMRGPRX4PLK1
SCHEMBL1824100 0.89 MRGPRX4 (0.71) MRGPRX4
SCHEMBL1825881 0.89 MRGPRX4 (0.53) RXRARXRBRXRGMRGPRX4PLK1
SCHEMBL1826345 0.89 POLB (0.47) RXRARXRBRXRGMRGPRX4KDM4E
SCHEMBL1827353 0.89 MRGPRX4 (0.58) RXRARXRBRXRGMRGPRX4KDM4E
SCHEMBL4605839 0.87 RXRA (0.57) RXRARXRBRXRGMRGPRX4KDM4E
SCHEMBL1821782 0.87 RXRA (0.59) RXRARXRBRXRGMRGPRX4PLK1
SCHEMBL4603523 0.82 MRGPRX4 (0.58) MRGPRX4PLK1KDM4EPKMMAPT

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 RXRA 1518/4885RXRB 1481/4885RXRG 1743/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 RXRA 1478/4885RXRB 1449/4885RXRG 1695/4885

“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.