SCHEMBL1643735

SCHEMBL1643735

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CYP3A4 P08684 9/20 0.48
TSHR P16473 7/20 0.48
ALDH1A1 P00352 5/20 0.48
CASP1 P29466 2/20 0.48
CTSK P43235 2/20 0.47
CYP2C9 P11712 4/20 0.47
LMNA P02545 4/20 0.47
CYP2C19 P33261 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ELANE P08246 1/20 0.46
CTRB1 P17538 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.46
OPRK1 P41145 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL1643736 1.00 ATM (0.49) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL1643734 1.00 ATM (0.49) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL11982585 1.00 ATM (0.49) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL1643737 1.00 ATM (0.49) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL30528502 0.90 CTSL (0.44) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL7783393 0.87 ATM (0.56) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL11982545 0.84 CTSL (0.47) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL1053887 0.84 CTSL (0.47) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL13394496 0.84 CTSL (0.47) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL1053889 0.84 CTSL (0.47) ATMCTSLCTSSCYP3A4TSHR

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 4 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
EP-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP 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 ATM 4554/4885CTSL 1823/4885CTSS 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.