SCHEMBL1826249

SCHEMBL1826249

CCC(=O)Nc1ccc(COc2ccc(Br)cc2F)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EGFR P00533 1/20 0.44
KDR P35968 1/20 0.44
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
PTGER1 P34995 2/20 0.43
LRRK2 Q5S007 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NPC1 O15118 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
SCHEMBL1824710 0.89 KDM4E (0.48) POLBKDM4EPKMMRGPRX4TDP1
SCHEMBL1825552 0.89 POLB (0.52) POLBKDM4EPKMMRGPRX4TDP1
SCHEMBL1824562 0.87 MRGPRX4 (0.60) POLBMAPTKDM4EPKMMRGPRX4
SCHEMBL1825782 0.87 MRGPRX4 (0.56) POLBMAPTKDM4EPKMMRGPRX4
SCHEMBL1826345 0.86 POLB (0.47) POLBKDM4EPKMMRGPRX4TDP1
SCHEMBL1825203 0.85 KDM4E (0.45) MAPTKDM4EPKMMRGPRX4RAB9A
SCHEMBL1827099 0.85 MRGPRX4 (0.58) MAPTKDM4EPKMMRGPRX4PTGER1
SCHEMBL1828333 0.85 PKM (0.47) POLBMAPTKDM4EPKMMRGPRX4
SCHEMBL1825980 0.80 KDM4E (0.46) POLBKDM4EPKMMRGPRX4MEN1
SCHEMBL1826671 0.80 KDM4E (0.46) POLBKDM4EPKMMRGPRX4MEN1

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 POLB 2612/4885MAPT 4784/4885KDM4E 4207/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 POLB 2639/4885MAPT 4786/4885KDM4E 4172/4885

“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.