SCHEMBL480201

SCHEMBL480201

CC(c1ccc(OCc2ccc(C3(C(=O)O)CC3)cc2)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MAOB P27338 6/20 0.37
FFAR1 O14842 2/20 0.37
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 4/20 0.34
NR1H4 Q96RI1 2/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NMT1 P30419 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
SCHEMBL753263 1.00 AKR1C3 (0.39) AKR1C3AKR1C2MAOBFFAR1ALOX5
SCHEMBL480680 0.93 MAOB (0.36) AKR1C3AKR1C2MAOBFFAR1ALOX5
SCHEMBL754887 0.93 MAOB (0.36) AKR1C3AKR1C2MAOBFFAR1ALOX5
SCHEMBL480026 0.88 MAOB (0.42) MAOBFFAR1NR1H4
SCHEMBL753262 0.88 MAOB (0.42) MAOBFFAR1NR1H4
SCHEMBL754449 0.88 SMN1; SMN2 (0.42) MAOBFFAR1ALOX5NR1H4
SCHEMBL479859 0.88 SMN1; SMN2 (0.42) MAOBFFAR1ALOX5NR1H4
Bicarbonate SCHEMBL15789708 0.86 ALOX5 (0.38) MAOBFFAR1ALOX5ALOX5APNMT1
SCHEMBL480022 0.85 LMNA (0.45) MAOBFFAR1ALOX5
SCHEMBL752268 0.85 LMNA (0.45) MAOBFFAR1ALOX5

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 8 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
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US 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 AKR1C3 97/4885AKR1C2 154/4885MAOB 881/4885

“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.