SCHEMBL754769

SCHEMBL754769

C[C@H](c1ccc(-c2ccc(C(=O)O)c(F)c2)cc1Cl)[C@@](O)(c1ccnc(Cl)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.34
BTK Q06187 1/20 0.34
RARB P10826 4/20 0.34
KMO O15229 4/20 0.34
RARA P10276 3/20 0.34
RARG P13631 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
SYK P43405 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL480077 1.00 RORC (0.34) RORCBTKRARBKMORARA
SCHEMBL752208 0.90 MET (0.36) SCN5ASCN9A
SCHEMBL479969 0.90 MET (0.36) SCN5ASCN9A
SCHEMBL752195 0.88 RXRA (0.37) KMOAKR1C3AKR1C2KDM4CSYK
SCHEMBL479896 0.88 RXRA (0.37) KMOAKR1C3AKR1C2KDM4CSYK
SCHEMBL479837 0.88 P2RX3 (0.34) RARG
SCHEMBL15789763 0.87 AAK1 (0.34) KMOAKR1C3AKR1C2
SCHEMBL15789752 0.85 AAK1 (0.38) KMO
SCHEMBL754359 0.85 KMO (0.41) KMOAKR1C3AKR1C2KDM4CSYK
SCHEMBL479909 0.85 KMO (0.41) KMOAKR1C3AKR1C2KDM4CSYK

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
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
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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

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 RORC 250/4885BTK 3610/4885RARB 1617/4885

“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.