SCHEMBL480824

SCHEMBL480824

COc1cc(Cl)c(C(C)C(=O)c2ccc(=O)n(C)c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 5/20 0.39
BRD4 O60885 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MET P08581 1/20 0.36
ALK Q9UM73 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HIF1A Q16665 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL480822 0.82 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1KDM4EBRD4
SCHEMBL480465 0.81 KDM4E (0.45) SMN1; SMN2KMT2AMEN1KDM4EBRD4
SCHEMBL837654 0.78 MEN1 (0.41) SMN1; SMN2KMT2AMEN1KDM4EHTT
SCHEMBL480765 0.76 MAPK1 (0.36) SMN1; SMN2KMT2AMEN1KDM4EBRD4
SCHEMBL480906 0.75 BRD4 (0.34) SMN1; SMN2KMT2ABRD4METALK
SCHEMBL16160619 0.69 P2RX3 (0.41) SMN1; SMN2KMT2AKDM4EHTTLMNA
SCHEMBL13890744 0.67 KDM4E (0.46) SMN1; SMN2KMT2AMEN1KDM4EBRD4
SCHEMBL12780302 0.65 RAB9A (0.49) KMT2AMEN1KDM4EHTTLMNA
SCHEMBL838922 0.64 EPHX2 (0.43) SMN1; SMN2KMT2AMEN1HTTLMNA
SCHEMBL9559881 0.63 LMNA (0.46) KMT2AMEN1HTTLMNAMAPK1

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
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US 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
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 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
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US 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 (3 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 4229/4885KMT2A 1893/4885MEN1 1173/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMN1; SMN2 4680/4885KMT2A 2149/4885MEN1 1863/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMN1; SMN2 4680/4885KMT2A 2149/4885MEN1 1863/4885

“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.