SCHEMBL1825902

SCHEMBL1825902

CCC(=O)Nc1ccc(C=Cc2ccc(F)cc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNK2 O95069 1/20 0.40
DHODH Q02127 5/20 0.39
RBP4 P02753 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.37
MPO P05164 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
LCK P06239 1/20 0.36
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL1825899 1.00 APP (0.43) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1827616 0.90 APP (0.43) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1827622 0.90 APP (0.43) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1821757 0.89 KDM4E (0.54) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1821761 0.89 KDM4E (0.54) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4605447 0.87 BACE1 (0.46) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4605442 0.87 BACE1 (0.46) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1825897 0.87 NFE2L2 (0.46) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1825893 0.87 NFE2L2 (0.46) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1826329 0.85 KMT2A (0.48) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2

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 APP 3858/4885KDM4E 4207/4885MEN1 1718/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 APP 3871/4885KDM4E 4172/4885MEN1 1752/4885

“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.