SCHEMBL1824746

SCHEMBL1824746

CCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)c(Br)c2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
FFAR1 O14842 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
DVL1 O14640 1/20 0.41
HPGD P15428 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
NOTUM Q6P988 1/20 0.39
PLK1 P53350 2/20 0.38
PLK3 Q9H4B4 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1828195 0.96 MRGPRX4 (0.46) KDM4EALDH1A1PKMMRGPRX4FFAR1
SCHEMBL4447325 0.95 FFAR1 (0.44) KDM4EALDH1A1PKMMRGPRX4FFAR1
SCHEMBL1824012 0.92 KDM4E (0.44) KDM4EALDH1A1PKMMRGPRX4FFAR1
SCHEMBL1826068 0.91 KDM4E (0.46) KDM4EALDH1A1PKMMRGPRX4FFAR1
SCHEMBL1825345 0.90 KDM4E (0.44) KDM4EALDH1A1PKMMRGPRX4FFAR1
SCHEMBL1822584 0.89 FFAR1 (0.55) KDM4EALDH1A1PKMMRGPRX4FFAR1
SCHEMBL1824515 0.89 KDM4E (0.46) KDM4EALDH1A1PKMMRGPRX4FFAR1
SCHEMBL1826198 0.88 MRGPRX4 (0.52) KDM4EALDH1A1PKMMRGPRX4FFAR1
SCHEMBL1825212 0.87 KDM4E (0.47) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL1826759 0.87 FFAR1 (0.46) KDM4EALDH1A1PKMMRGPRX4FFAR1

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 KDM4E 4207/4885ALDH1A1 1441/4885PKM 3676/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KDM4E 4172/4885ALDH1A1 1429/4885PKM 3671/4885

“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.