SCHEMBL754430

SCHEMBL754430

COC(=O)c1ccc(OCc2ccc([C@@H](C)[C@@](O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)nn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.33
FFAR1 O14842 3/20 0.33
GABRA1 P14867 1/20 0.32
P2RX3 P56373 2/20 0.32
ENPP2 Q13822 1/20 0.32
NOTUM Q6P988 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACACB O00763 1/20 0.31
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL479696 1.00 MRGPRX4 (0.33) MRGPRX4FFAR1GABRA1P2RX3ENPP2
SCHEMBL753024 0.92 MRGPRX4 (0.38) MRGPRX4FFAR1GABRA1ALDH1A1KDM5A
SCHEMBL479838 0.92 MRGPRX4 (0.38) MRGPRX4FFAR1GABRA1ALDH1A1KDM5A
SCHEMBL15789765 0.91 FFAR1 (0.34) MRGPRX4FFAR1ENPP2ALDH1A1ACACB
SCHEMBL753013 0.89 MRGPRX4 (0.33) MRGPRX4FFAR1P2RX3ALDH1A1ACACB
SCHEMBL480029 0.89 MRGPRX4 (0.33) MRGPRX4FFAR1P2RX3ALDH1A1ACACB
SCHEMBL15789687 0.87 FFAR1 (0.35) MRGPRX4FFAR1ALDH1A1KDM5AKDM5B
SCHEMBL479875 0.87 GRM5 (0.38) MRGPRX4P2RX3
SCHEMBL753236 0.87 GRM5 (0.38) MRGPRX4P2RX3
SCHEMBL15789714 0.84 ACACB (0.34) MRGPRX4FFAR1P2RX3ALDH1A1ACACB

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 MRGPRX4 284/4885FFAR1 45/4885GABRA1 665/4885

“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.