SCHEMBL754555

SCHEMBL754555

C[C@H](c1ccc(Oc2cnc(C(=O)O)cn2)c(Cl)c1Cl)[C@@](O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.33
P2RX3 P56373 1/20 0.31
MET P08581 1/20 0.31
ALK Q9UM73 1/20 0.31
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL734757 1.00 ACACB (0.33) ACACBP2RX3METALKSCN8A
SCHEMBL732510 0.92 ACACB (0.32) ACACBP2RX3METALKSCN8A
SCHEMBL754984 0.92 ACACB (0.32) ACACBP2RX3METALKSCN8A
SCHEMBL15789788 0.91 ACACB (0.33) ACACBSCN8ASCN10A
SCHEMBL15789865 0.88 ACACB (0.34) ACACBMETALKSCN8ASCN10A
SCHEMBL15789689 0.83 MET (0.30) METALK
SCHEMBL734303 0.82 PTGER4 (0.34) SCN8ASCN10A
SCHEMBL754530 0.82 PTGER4 (0.34) SCN8ASCN10A
SCHEMBL479879 0.81 ACACB (0.32) ACACB
SCHEMBL480727 0.80 MET (0.31) METALK

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
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

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 ACACB 1774/4885P2RX3 696/4885MET 1104/4885

“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.