SCHEMBL1827618

SCHEMBL1827618

CCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
FFAR1 O14842 1/20 0.43
PLK1 P53350 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.43
SRD5A1 P18405 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
HPGD P15428 1/20 0.41
RXRA P19793 3/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 0.41
ESRRA P11474 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
KCNK2 O95069 1/20 0.40
EPHX2 P34913 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL1827139 0.90 PPARD (0.43) KDM4EALDH1A1PKMHPGDKCNK2
SCHEMBL1823078 0.90 FFAR1 (0.55) SRD5A2FFAR1PLK1KDM4EALDH1A1
SCHEMBL1826874 0.89 KMT2A (0.49) KDM4EALDH1A1PKMMAPTHPGD
SCHEMBL1822953 0.89 MRGPRX4 (0.49) SRD5A2FFAR1PLK1KDM4EALDH1A1
SCHEMBL1824443 0.89 FFAR1 (0.43) SRD5A2FFAR1PLK1KDM4EALDH1A1
SCHEMBL1827458 0.89 KDM4E (0.51) KDM4EALDH1A1PKMMAPT
SCHEMBL4604582 0.87 MAOB (0.53) KDM4EALDH1A1PKMHPGD
SCHEMBL1827641 0.87 KDM4E (0.51) SRD5A2KDM4ESRD5A1LIPCLIPG
SCHEMBL4448039 0.85 KDM4E (0.41) KDM4EMAPTHPGD
SCHEMBL4435621 0.83 FFAR1 (0.41) FFAR1KDM4EHPGD

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 SRD5A2 303/4885FFAR1 873/4885PLK1 4444/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 SRD5A2 307/4885FFAR1 878/4885PLK1 4412/4885

“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.