SCHEMBL1643079

SCHEMBL1643079

CC(NC(=O)OCc1ccccc1)[C@H](O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.46
CTSK P43235 3/20 0.46
MGLL Q99685 1/20 0.45
ELANE P08246 2/20 0.45
ATM Q13315 1/20 0.45
CTSS P25774 2/20 0.44
TACR1 P25103 2/20 0.43
PRTN3 P24158 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTRB1 P17538 2/20 0.42

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
SCHEMBL1643081 1.00 CTSL (0.46) CTSLCTSKMGLLELANEATM
SCHEMBL1644722 0.85 ELANE (0.47) CTSLCTSKELANEATMCTSS
SCHEMBL1644727 0.85 ELANE (0.47) CTSLCTSKELANEATMCTSS
SCHEMBL1644725 0.85 ELANE (0.47) CTSLCTSKELANEATMCTSS
SCHEMBL1053887 0.84 CTSL (0.47) CTSLCTSKMGLLELANEATM
SCHEMBL13394496 0.84 CTSL (0.47) CTSLCTSKMGLLELANEATM
SCHEMBL3483665 0.84 CTSL (0.47) CTSLCTSKMGLLELANEATM
SCHEMBL1053889 0.84 CTSL (0.47) CTSLCTSKMGLLELANEATM
SCHEMBL11982545 0.84 CTSL (0.47) CTSLCTSKMGLLELANEATM
SCHEMBL1643061 0.82 CTSK (0.47) CTSLCTSKMGLLELANEATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 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 (1 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-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER1 CTSL 1823/4885CTSK 3326/4885MGLL 171/4885

“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.