SCHEMBL754770

SCHEMBL754770

C[C@H](c1ccc(-c2ccc(C(=O)O)cc2)cc1Cl)[C@@](O)(c1ccnc(-c2ccc(C(=O)O)cc2)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.40
MAP4K4 O95819 1/20 0.39
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 1/20 0.36
KDM2B Q8NHM5 3/20 0.36
KDM4C Q9H3R0 3/20 0.36
PDK2 Q15119 1/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL479917 1.00 KMO (0.43) KMOLOXL2MAP4K4RXRARXRB
SCHEMBL480017 0.94 KDM4E (0.39) KMOLOXL2MAP4K4KDM4CPDK2
SCHEMBL15789725 0.93 KMO (0.38) KMOLOXL2MAP4K4RXRARXRB
SCHEMBL479896 0.91 RXRA (0.37) KMOMAP4K4RXRARXRBRXRG
SCHEMBL752195 0.91 RXRA (0.37) KMOMAP4K4RXRARXRBRXRG
SCHEMBL479930 0.90 GPBAR1 (0.39) KMORXRARXRBRXRG
SCHEMBL837203 0.89 CHEK1 (0.39) KMOLOXL2MAP4K4RXRAKDM2B
SCHEMBL733518 0.87 KDM4E (0.39) KMOLOXL2KDM4CPDK2
SCHEMBL733519 0.86 SLC6A3 (0.39) KMOKDM4CPDK2
SCHEMBL754359 0.85 KMO (0.41) KMOMAP4K4RXRARXRBKDM2B

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 KMO 1077/4885LOXL2 4328/4885MAP4K4 1877/4885

“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.