SCHEMBL480128

SCHEMBL480128

Cc1cc(C(O)(C(C)c2ccc(Oc3ncc(C(=O)O)cc3Cl)cc2Cl)C(F)(F)F)cnc1C#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.36
LIPE Q05469 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER4 P35408 5/20 0.35
PTGER2 P43116 2/20 0.35
RAB9A P51151 1/20 0.34
SCN9A Q15858 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL753362 1.00 FFAR1 (0.40) FFAR1SMN1; SMN2LMNALIPEALDH1A1
SCHEMBL12164139 0.91 FFAR1 (0.38) FFAR1SMN1; SMN2LMNALIPEALDH1A1
SCHEMBL473930 0.91 FFAR1 (0.38) FFAR1SMN1; SMN2LMNALIPEALDH1A1
SCHEMBL473849 0.88 PTGER4 (0.40) FFAR1SMN1; SMN2LMNALIPEALDH1A1
SCHEMBL12164144 0.88 PTGER4 (0.40) FFAR1SMN1; SMN2LMNALIPEALDH1A1
SCHEMBL480083 0.84 AR (0.38) FFAR1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL753130 0.84 PTGER4 (0.34) FFAR1SMN1; SMN2LMNALIPEALDH1A1
SCHEMBL480076 0.84 PTGER4 (0.34) FFAR1SMN1; SMN2LMNALIPEALDH1A1
SCHEMBL12164137 0.83 LMNA (0.38) FFAR1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL473833 0.83 LMNA (0.38) FFAR1SMN1; SMN2LMNAALDH1A1KDM4E

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 10 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 claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO claimed
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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP 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 FFAR1 45/4885SMN1; SMN2 4229/4885LMNA 1995/4885

“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.