SCHEMBL754530

SCHEMBL754530

C[C@H](c1ccc(Oc2ccc(C(=O)O)cc2)c(Cl)c1Cl)[C@@](O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
F11 P03951 2/20 0.33
LPAR1 Q92633 6/20 0.33
LPAR5 Q9H1C0 6/20 0.33
FFAR1 O14842 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FAAH O00519 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL734303 1.00 PTGER4 (0.34) PTGER4PTGER2F11LPAR1LPAR5
SCHEMBL753341 0.91 LMNA (0.36) SCN8ASCN10ABRD4ALDH1A1TSHR
SCHEMBL480403 0.91 LMNA (0.36) SCN8ASCN10ABRD4ALDH1A1TSHR
SCHEMBL733103 0.88 SCN8A (0.35) FFAR1SCN8ASCN10A
SCHEMBL755659 0.88 SCN8A (0.35) FFAR1SCN8ASCN10A
SCHEMBL734434 0.87 PTGER4 (0.38) PTGER4F11FFAR1ALDH1A1TSHR
SCHEMBL753038 0.87 PTGER4 (0.38) PTGER4F11FFAR1ALDH1A1TSHR
SCHEMBL732703 0.87 IGFBP3 (0.35) PTGER4PTGER2F11LPAR1LPAR5
SCHEMBL752275 0.87 IGFBP3 (0.35) PTGER4PTGER2F11LPAR1LPAR5
SCHEMBL480742 0.87 FFAR1 (0.36) PTGER4F11FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 PTGER4 543/4885PTGER2 571/4885F11 343/4885

“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.