SCHEMBL754981

SCHEMBL754981

Cc1cc([C@@](O)([C@@H](C)c2ccc(Oc3ccc(C(=O)O)cc3C(F)(F)F)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.35
PTGER4 P35408 2/20 0.35
PLA2G7 Q13093 1/20 0.34
SRD5A2 P31213 1/20 0.34
RHEB Q15382 1/20 0.33
BRD4 O60885 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
F11 P03951 2/20 0.32
KLKB1 P03952 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
KDR P35968 1/20 0.32
SCN9A Q15858 1/20 0.31
PTGER2 P43116 1/20 0.31

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
SCHEMBL480514 1.00 EGLN1 (0.35) EGLN1PTGER4PLA2G7SRD5A2RHEB
SCHEMBL733736 0.93 MRGPRX4 (0.35) PTGER4BRD4HTR2ASLC6A4KCNH2
SCHEMBL480761 0.93 MRGPRX4 (0.35) PTGER4BRD4HTR2ASLC6A4KCNH2
SCHEMBL733612 0.93 MRGPRX4 (0.35) PTGER4BRD4HTR2ASLC6A4KCNH2
SCHEMBL480855 0.91 IGFBP3 (0.34) PTGER4BRD4MRGPRX4SCN9APTGER2
SCHEMBL755674 0.91 IGFBP3 (0.34) PTGER4BRD4MRGPRX4SCN9APTGER2
SCHEMBL480694 0.88 HTR2A (0.33) HTR2ASLC6A4KCNH2KDR
SCHEMBL480873 0.87 RHEB (0.33) EGLN1PTGER4RHEBKCNH2
SCHEMBL755671 0.87 RHEB (0.33) EGLN1PTGER4RHEBKCNH2
SCHEMBL480687 0.84 S1PR2 (0.34) PTGER4BRD4

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
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 EGLN1 1855/4885PTGER4 543/4885PLA2G7 1810/4885

“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.