SCHEMBL480110

SCHEMBL480110

CC(c1ccc(Oc2ccc(C#N)cc2F)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.37
ICMT O60725 1/20 0.35
AR P10275 3/20 0.35
HTR2A P28223 3/20 0.35
KCNH2 Q12809 3/20 0.35
SLC6A4 P31645 2/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 1/20 0.34
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
FFAR1 O14842 1/20 0.31
GPR6 P46095 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
SCHEMBL479881 0.84 IGFBP3 (0.38) BRAFKDR
SCHEMBL474548 0.83 AR (0.35) ARHTR2AKCNH2SLC6A4CYP11B1
SCHEMBL733559 0.82 CYP11B1 (0.38) SLC22A12ARHTR2AKCNH2SLC6A4
SCHEMBL480073 0.82 AR (0.38) ARCYP11B1CYP11B2KDR
SCHEMBL481056 0.82 CYP11B1 (0.36) SLC22A12ARHTR2AKCNH2SLC6A4
SCHEMBL480120 0.81 AR (0.38) ARCYP11B1CYP11B2BRAFKDR
SCHEMBL479869 0.81 CYP11B1 (0.35) SLC22A12ARHTR2AKCNH2SLC6A4
SCHEMBL479978 0.79 MEN1 (0.37) ARHTR2AKCNH2SLC6A4KDR
SCHEMBL479833 0.79 MRGPRX4 (0.37) FFAR1
SCHEMBL732613 0.78 MRGPRX4 (0.35) KDR

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
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 SLC22A12 2603/4885ICMT 4531/4885AR 187/4885

“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.