SCHEMBL753236

SCHEMBL753236

COC(=O)c1ccc(OCc2ccc([C@@H](C)[C@@](O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
GABRA5 P31644 10/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
P2RX3 P56373 1/20 0.36
LMNA P02545 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
SCHEMBL479875 1.00 GRM5 (0.38) GRM5GABRA5MRGPRX4P2RX3LMNA
SCHEMBL753249 0.92 MRGPRX4 (0.41) GRM5GABRA5MRGPRX4P2RX3
SCHEMBL734262 0.92 MRGPRX4 (0.41) GRM5GABRA5MRGPRX4P2RX3
SCHEMBL752267 0.90 MRGPRX4 (0.37) MRGPRX4
SCHEMBL479977 0.90 MRGPRX4 (0.37) MRGPRX4
SCHEMBL480029 0.89 MRGPRX4 (0.33) GRM5MRGPRX4P2RX3
SCHEMBL753013 0.89 MRGPRX4 (0.33) GRM5MRGPRX4P2RX3
SCHEMBL15789714 0.87 ACACB (0.34) GRM5MRGPRX4P2RX3LMNA
SCHEMBL479696 0.87 MRGPRX4 (0.33) MRGPRX4P2RX3
SCHEMBL754430 0.87 MRGPRX4 (0.33) MRGPRX4P2RX3

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 GRM5 197/4885GABRA5 1112/4885MRGPRX4 284/4885

“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.