SCHEMBL1825932

SCHEMBL1825932

O=C(O)c1cc(OCc2ccc(Cl)c(C(F)(F)F)c2)ccc1NC(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.50
KDR P35968 15/20 0.49
BRAF P15056 12/20 0.49
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL1827176 0.96 S1PR1 (0.48) S1PR1KDRBRAFKDM4EHSD17B10
SCHEMBL1826416 0.92 MRGPRX4 (0.50) S1PR1KDRBRAFKDM4EHSD17B10
SCHEMBL1827185 0.92 KDM4E (0.50) S1PR1KDRBRAFKDM4EHSD17B10
SCHEMBL1827007 0.90 MRGPRX4 (0.53) S1PR1KDRBRAFKDM4EHSD17B10
SCHEMBL1825233 0.89 KDR (0.49) KDRBRAFKDM4EHSD17B10
SCHEMBL1828191 0.88 KDM4E (0.47) S1PR1KDRBRAFKDM4EHSD17B10
SCHEMBL1825725 0.88 KDM4E (0.47) KDRBRAFKDM4EHSD17B10
SCHEMBL1825605 0.88 S1PR1 (0.52) S1PR1KDM4EHSD17B10
SCHEMBL1824147 0.87 KDM4E (0.47) KDRBRAFKDM4EHSD17B10
SCHEMBL1827326 0.87 KDM4E (0.49) S1PR1KDRBRAFKDM4EHSD17B10

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 S1PR1 3744/4885KDR 4642/4885BRAF 579/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 S1PR1 3720/4885KDR 4625/4885BRAF 565/4885

“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.