SCHEMBL1827003

SCHEMBL1827003

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
MRGPRX4 Q96LA9 8/20 0.47
SCN9A Q15858 3/20 0.46
S1PR1 P21453 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
KDM4E B2RXH2 3/20 0.42
DVL1 O14640 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1824517 0.96 PTGDR2 (0.49) PTGDR2MRGPRX4SCN9AS1PR1PPARD
SCHEMBL1825080 0.92 MRGPRX4 (0.56) PTGDR2MRGPRX4PPARDPPARAKDM4E
SCHEMBL1823645 0.88 KDM4E (0.42) MRGPRX4PPARDKDM4EDVL1PKM
SCHEMBL1825265 0.86 MRGPRX4 (0.54) PTGDR2MRGPRX4KDM4EDVL1PKM
SCHEMBL1824454 0.85 MRGPRX4 (0.53) MRGPRX4SCN9AKDM4EDVL1PKM
SCHEMBL1825523 0.85 TSHR (0.49) MRGPRX4KDM4EDVL1PKMMEN1
SCHEMBL1826571 0.84 MRGPRX4 (0.46) PTGDR2MRGPRX4SCN9AS1PR1PPARA
SCHEMBL4604536 0.83 RXRA (0.57) MRGPRX4KDM4EDVL1PKMALDH1A1
SCHEMBL1825789 0.83 THRA (0.49) MRGPRX4KDM4EDVL1PKMMEN1
SCHEMBL1825744 0.83 FFAR1 (0.49) MRGPRX4S1PR1KDM4EDVL1PKM

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 PTGDR2 1225/4885MRGPRX4 1127/4885SCN9A 3405/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 PTGDR2 1247/4885MRGPRX4 1135/4885SCN9A 3406/4885

“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.