SCHEMBL752152

SCHEMBL752152

COC(=O)c1ccc(N(C)C(=O)c2ccc([C@@H](C)[C@@](O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MCHR1 Q99705 1/20 0.48
LMNA P02545 1/20 0.44
MDM4 O15151 2/20 0.38
MDM2 Q00987 2/20 0.38
MLYCD O95822 2/20 0.37
GPBAR1 Q8TDU6 3/20 0.36
NR1H3 Q13133 4/20 0.36
NR1H2 P55055 3/20 0.36
NOTUM Q6P988 1/20 0.35
PDK1 Q15118 3/20 0.35
PDK2 Q15119 3/20 0.35
PDK3 Q15120 3/20 0.35
PDK4 Q16654 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL479992 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MCHR1LMNAMDM4MDM2
SCHEMBL479657 0.91 LMNA (0.44) SMN1; SMN2MCHR1LMNAMDM4MDM2
SCHEMBL754315 0.91 LMNA (0.44) SMN1; SMN2MCHR1LMNAMDM4MDM2
SCHEMBL480160 0.89 PDK1 (0.43) SMN1; SMN2MCHR1NR1H3NR1H2NOTUM
SCHEMBL480861 0.86 MAPT (0.44) SMN1; SMN2LMNAPDK1PDK2PDK3
SCHEMBL480111 0.86 TDO2 (0.38) NR1H3NR1H2PDK1PDK2PDK3
SCHEMBL480074 0.86 MLYCD (0.39) SMN1; SMN2MCHR1LMNAMDM4MDM2
SCHEMBL755473 0.86 ROCK2 (0.39) SMN1; SMN2LMNAMDM4MDM2NR1H3
SCHEMBL479702 0.86 ROCK2 (0.39) SMN1; SMN2LMNAMDM4MDM2NR1H3
SCHEMBL479943 0.84 MAPT (0.40) SMN1; SMN2LMNAPDK1PDK2PDK3

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 4229/4885MCHR1 144/4885LMNA 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.