SCHEMBL734262

SCHEMBL734262

CC(c1ccc(COc2ccc(C(=O)O)cn2)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
KDM4C Q9H3R0 4/20 0.36
KDM5A P29375 4/20 0.35
KDM5B Q9UGL1 4/20 0.35
KDM2B Q8NHM5 1/20 0.35
GABRA5 P31644 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX3 P56373 1/20 0.34
FFAR1 O14842 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
SCHEMBL753249 1.00 MRGPRX4 (0.41) MRGPRX4MAPTL3MBTL1GRM5RXRA
SCHEMBL753236 0.92 GRM5 (0.38) MRGPRX4GRM5GABRA5P2RX3
SCHEMBL479875 0.92 GRM5 (0.38) MRGPRX4GRM5GABRA5P2RX3
SCHEMBL754431 0.90 MRGPRX4 (0.37) MRGPRX4RXRARXRBRXRGKDM4C
SCHEMBL480002 0.90 MRGPRX4 (0.37) MRGPRX4RXRARXRBRXRGKDM4C
SCHEMBL480021 0.88 MRGPRX4 (0.38) MRGPRX4RXRARXRBRXRGKDM4C
SCHEMBL752266 0.88 MRGPRX4 (0.38) MRGPRX4RXRARXRBRXRGKDM4C
SCHEMBL15789781 0.87 FFAR1 (0.34) MRGPRX4KDM4CKDM5AKDM5BKDM2B
SCHEMBL753024 0.86 MRGPRX4 (0.38) MRGPRX4RXRARXRBRXRGKDM4C
SCHEMBL479838 0.86 MRGPRX4 (0.38) MRGPRX4RXRARXRBRXRGKDM4C

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 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
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 MRGPRX4 284/4885MAPT 2644/4885L3MBTL1 1905/4885

“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.