SCHEMBL479780

SCHEMBL479780

CC(c1ccc(Oc2ccc(C(=O)O)c(Cl)c2)cc1Cl)C(O)(c1ccc2nccnc2c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
S1PR2 O95136 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
TTR P02766 1/20 0.32
PPOX P50336 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHODH Q02127 1/20 0.32
POLB P06746 1/20 0.32
ADORA1 P30542 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
AR P10275 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
SCHEMBL753127 1.00 LMNA (0.34) LMNAKDM4CS1PR2NR1H2NR1H3
SCHEMBL479650 0.87 S1PR2 (0.35) LMNAKDM4CS1PR2MEN1KMT2A
SCHEMBL479897 0.85 SMN1; SMN2 (0.37) LMNANR1H2NR1H3KMT2APPARG
SCHEMBL752386 0.85 SMN1; SMN2 (0.37) LMNANR1H2NR1H3KMT2APPARG
SCHEMBL12342572 0.83 AR (0.39) KDM4CS1PR2NR1H2MEN1KMT2A
SCHEMBL473931 0.83 AR (0.39) KDM4CS1PR2NR1H2MEN1KMT2A
SCHEMBL479837 0.81 P2RX3 (0.34) S1PR2PYGLPYGMMAPK14
SCHEMBL474586 0.81 RAB9A (0.40) S1PR2KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL12164062 0.81 RAB9A (0.40) S1PR2KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL479965 0.80 PYGL (0.35) MEN1KMT2ATTRPPOXTDP1

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 LMNA 1995/4885KDM4C 3615/4885S1PR2 548/4885

“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.