SCHEMBL752386

SCHEMBL752386

C[C@H](c1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1Cl)[C@@](O)(c1ccc2nccnc2c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
PTGER4 P35408 6/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.35
LIPE Q05469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IP6K1 Q92551 2/20 0.35
IP6K3 Q96PC2 2/20 0.35
IP6K2 Q9UHH9 2/20 0.35
PPARG P37231 1/20 0.35
PTGER2 P43116 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL479897 1.00 SMN1; SMN2 (0.37) SMN1; SMN2PTGER4FFAR1LMNALIPE
SCHEMBL473849 0.85 PTGER4 (0.40) SMN1; SMN2PTGER4FFAR1LMNALIPE
SCHEMBL12164144 0.85 PTGER4 (0.40) SMN1; SMN2PTGER4FFAR1LMNALIPE
SCHEMBL479780 0.85 LMNA (0.34) SMN1; SMN2LMNAALDH1A1PPARGNR1H2
SCHEMBL753127 0.85 LMNA (0.34) SMN1; SMN2LMNAALDH1A1PPARGNR1H2
SCHEMBL474438 0.84 PPARG (0.36) SMN1; SMN2PTGER4FFAR1LMNALIPE
SCHEMBL12164071 0.84 PPARG (0.36) SMN1; SMN2PTGER4FFAR1LMNALIPE
SCHEMBL12164139 0.83 FFAR1 (0.38) SMN1; SMN2PTGER4FFAR1LMNALIPE
SCHEMBL473930 0.83 FFAR1 (0.38) SMN1; SMN2PTGER4FFAR1LMNALIPE
SCHEMBL473824 0.81 PPARG (0.35) SMN1; SMN2PTGER4FFAR1LMNALIPE

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 SMN1; SMN2 4229/4885PTGER4 543/4885FFAR1 45/4885

“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.