SCHEMBL2839558

SCHEMBL2839558

CC(C)(C)OC(=O)NC(c1ccc(Cl)c(Cl)c1)C(O)c1ccc(OC2CCOC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.43
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPK1 P28482 3/20 0.35
S1PR3 Q99500 3/20 0.35
GPER1 Q99527 1/20 0.34
PDE4D Q08499 1/20 0.34
GRM5 P41594 2/20 0.34
KDM4D Q6B0I6 1/20 0.34

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
SCHEMBL2833814 0.84 S1PR3 (0.44) ACACBMAPK1S1PR3
SCHEMBL2834713 0.83 CYP3A4 (0.37) ACACBMAPK1S1PR3PDE4DGRM5
SCHEMBL2836530 0.82 FFAR1 (0.36) ACACBMAPK1S1PR3GRM5KDM4D
SCHEMBL2836777 0.82 ACACB (0.38) ACACBMAPK1S1PR3GRM5
SCHEMBL2836827 0.80 S1PR3 (0.38) ACACBMAPK1S1PR3
SCHEMBL2837636 0.80 RAB9A (0.39) ACACBMAPK1GRM5
SCHEMBL2837534 0.79 SCN1A (0.39) ACACBMAPK1S1PR3
SCHEMBL7808880 0.79 ACACB (0.42) ACACBCTSDBACE1PTGS1PTGS2
SCHEMBL2832253 0.78 MAPK1 (0.41) MAPK1S1PR3
SCHEMBL2832356 0.78 S1PR3 (0.42) ACACBS1PR3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ACACB 996/4885CTSD 4072/4885BACE1 164/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ACACB 996/4885CTSD 4072/4885BACE1 164/4885

“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.