SCHEMBL1823554

SCHEMBL1823554

O=C(CNc1cccc(C(=O)O)c1)COCc1ccc(Br)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.50
AKR1C3 P42330 1/20 0.48
FFAR1 O14842 1/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL1825304 0.89 PPARA (0.52) PPARAAKR1C3FFAR1NPC1GAA
SCHEMBL1825551 0.89 PPARA (0.48) PPARAAKR1C3FFAR1NPC1RAB9A
SCHEMBL1824139 0.89 PPARA (0.52) PPARAAKR1C3FFAR1
SCHEMBL1826505 0.89 PPARA (0.48) PPARAAKR1C3FFAR1NPC1GAA
SCHEMBL1827425 0.87 PPARA (0.47) PPARAAKR1C3FFAR1NPC1GAA
SCHEMBL1826385 0.86 PPARA (0.51) PPARAAKR1C3MAPTMEN1KMT2A
SCHEMBL1825214 0.81 PPARA (0.51) PPARAAKR1C3FFAR1NPC1MAPT
SCHEMBL1825476 0.80 PPARA (0.64) PPARAAKR1C3FFAR1
SCHEMBL1826193 0.80 MRGPRX4 (0.61) PPARAAKR1C3FFAR1NPC1MAPT
SCHEMBL4606385 0.79 AKR1C3 (0.52) PPARAAKR1C3FFAR1MAPTMEN1

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 10 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

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 PPARA 2826/4885AKR1C3 7/4885FFAR1 873/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 PPARA 2746/4885AKR1C3 6/4885FFAR1 878/4885

“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.