SCHEMBL1643095

SCHEMBL1643095

C[C@H](NC(=O)OCc1ccccc1)C(=O)c1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 1/20 0.51
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
ELANE P08246 1/20 0.47
CTRB1 P17538 2/20 0.47
CYP1A2 P05177 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL11982516 1.00 CTSK (0.51) CTSKCTSSCTSLCTSBATM
SCHEMBL30528465 0.90 VNN1 (0.46) CTSKCTSSCTSLCTSBATM
SCHEMBL17365581 0.90 VNN1 (0.46) CTSKCTSSCTSLCTSBATM
SCHEMBL26293714 0.86 CTSK (0.52) CTSKCTSSCTSLCTSBATM
SCHEMBL1060083 0.84 CTSK (0.48) CTSKCTSSCTSLCTSBATM
SCHEMBL12190794 0.84 CTSK (0.48) CTSKCTSSCTSLCTSBATM
SCHEMBL3484242 0.84 CTSK (0.48) CTSKCTSSCTSLCTSBATM
SCHEMBL1644694 0.84 CTSK (0.50) CTSKCTSSCTSLCTSBATM
SCHEMBL5898498 0.81 CTSK (0.48) CTSKCTSSCTSLCTSBATM
SCHEMBL5898313 0.81 CTSK (0.48) CTSKCTSSCTSLCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
CN-102304096-B CETP inhibitors MERCK SHARP & DOHME 2014-12-03 CN disclosed
CN-102311401-B CETP inhibitors MERCK & CO INC 2014-12-03 CN disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
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
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 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 (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 CTSK 3326/4885CTSS 3537/4885CTSL 1823/4885

“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.