SCHEMBL1827461

SCHEMBL1827461

O=C(O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2F)ccc1NC(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
RXFP1 Q9HBX9 7/20 0.44
LIPC P11150 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
KDM4E B2RXH2 2/20 0.41
TRPA1 O75762 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TRPM2 O94759 1/20 0.40
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 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
SCHEMBL1827463 1.00 KMT2A (0.50) KMT2AMEN1TSHRRXFP1LIPC
SCHEMBL1826584 0.91 MEN1 (0.46) KMT2AMEN1TSHRRXFP1LIPC
SCHEMBL1826585 0.91 MEN1 (0.46) KMT2AMEN1TSHRRXFP1LIPC
SCHEMBL1826247 0.89 KMT2A (0.44) KMT2AMEN1TSHRRXFP1LIPC
SCHEMBL1826265 0.89 KMT2A (0.44) KMT2AMEN1TSHRRXFP1LIPC
SCHEMBL1824957 0.87 L3MBTL1 (0.48) KMT2AKDM4EHSD17B10DHODH
SCHEMBL1824959 0.87 L3MBTL1 (0.48) KMT2AKDM4EHSD17B10DHODH
SCHEMBL4437032 0.87 KMT2A (0.43) KMT2AMEN1TSHRRXFP1LIPC
SCHEMBL4437026 0.87 KMT2A (0.43) KMT2AMEN1TSHRRXFP1LIPC
SCHEMBL1826397 0.85 KMT2A (0.59) KMT2AMEN1TSHRKDM4EHSD17B10

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 KMT2A 3537/4885MEN1 1718/4885TSHR 1993/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KMT2A 3535/4885MEN1 1752/4885TSHR 1968/4885

“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.