SCHEMBL1827458

SCHEMBL1827458

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 1/20 0.43
PPARG P37231 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
SERPINE1 P05121 1/20 0.41
NR4A2 P43354 1/20 0.41
NPC1 O15118 1/20 0.41
PAX8 Q06710 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
SCHEMBL4440066 0.93 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1827618 0.89 SRD5A2 (0.47) KDM4EALDH1A1PKMMAPT
SCHEMBL1827139 0.89 PPARD (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1826874 0.88 KMT2A (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1826022 0.86 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4604582 0.86 MAOB (0.53) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1825956 0.86 NR4A2 (0.57) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1825885 0.86 KDM4E (0.49) KDM4EALDH1A1KMT2AHSD17B10PPARG
SCHEMBL1825548 0.84 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1822953 0.84 MRGPRX4 (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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 KDM4E 4207/4885ALDH1A1 1441/4885SMN1; SMN2 4410/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KDM4E 4172/4885ALDH1A1 1429/4885SMN1; SMN2 4416/4885

“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.