SCHEMBL732755

SCHEMBL732755

Cc1cc([C@](O)([C@H](C)c2ccc(Oc3ccc(C(=O)O)cn3)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
P2RX3 P56373 7/20 0.40
PTGER4 P35408 1/20 0.35
MAPT P10636 1/20 0.35
LIPE Q05469 2/20 0.34
LMNA P02545 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL480891 1.00 HRH3 (0.40) HRH3P2RX3PTGER4MAPTLIPE
SCHEMBL480612 1.00 HRH3 (0.40) HRH3P2RX3PTGER4MAPTLIPE
SCHEMBL480795 0.92 LMNA (0.42) HRH3P2RX3LIPELMNAEGLN1
SCHEMBL752384 0.92 LMNA (0.42) HRH3P2RX3LIPELMNAEGLN1
SCHEMBL754996 0.90 PTGER4 (0.34) HRH3P2RX3PTGER4EGLN1
SCHEMBL480645 0.90 PTGER4 (0.34) HRH3P2RX3PTGER4EGLN1
SCHEMBL753157 0.89 SMN1; SMN2 (0.35) P2RX3PTGER4LIPELMNA
SCHEMBL480777 0.89 SMN1; SMN2 (0.35) P2RX3PTGER4LIPELMNA
SCHEMBL754991 0.89 PTGER4 (0.35) PTGER4
SCHEMBL480714 0.89 PTGER4 (0.35) PTGER4

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 10 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-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
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 HRH3 419/4885P2RX3 696/4885PTGER4 543/4885

“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.