SCHEMBL1644725

SCHEMBL1644725

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
ATM Q13315 2/20 0.47
CTSS P25774 4/20 0.46
CTSL P07711 3/20 0.46
CTSK P43235 5/20 0.46
PRTN3 P24158 2/20 0.45
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CTRB1 P17538 2/20 0.44
CTSB P07858 2/20 0.43

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
SCHEMBL1644722 1.00 ELANE (0.47) ELANEATMCTSSCTSLCTSK
SCHEMBL1644727 1.00 ELANE (0.47) ELANEATMCTSSCTSLCTSK
SCHEMBL1643079 0.85 CTSL (0.46) ELANEATMCTSSCTSLCTSK
SCHEMBL1643081 0.85 CTSL (0.46) ELANEATMCTSSCTSLCTSK
SCHEMBL11982585 0.83 ATM (0.49) ELANEATMCTSSCTSLCTSK
SCHEMBL1643734 0.83 ATM (0.49) ELANEATMCTSSCTSLCTSK
SCHEMBL1643736 0.83 ATM (0.49) ELANEATMCTSSCTSLCTSK
SCHEMBL1643735 0.83 ATM (0.49) ELANEATMCTSSCTSLCTSK
SCHEMBL1643737 0.83 ATM (0.49) ELANEATMCTSSCTSLCTSK
SCHEMBL1643284 0.82 TP53 (0.53) ELANEATMCTSSCTSLCTSK

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 ELANE 1409/4885ATM 4554/4885CTSS 3537/4885

“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.