SCHEMBL480645

SCHEMBL480645

Cc1cc(C(O)(C(C)c2ccc(Oc3ncc(C(=O)O)cn3)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.34
TRPM8 Q7Z2W7 1/20 0.32
P2RX3 P56373 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
BRD4 O60885 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
KDR P35968 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL754996 1.00 PTGER4 (0.34) PTGER4TRPM8P2RX3THRATHRB
SCHEMBL480748 0.92 P2RX3 (0.33) PTGER4P2RX3BRD4NR1H2NR1H3
SCHEMBL754992 0.92 P2RX3 (0.33) PTGER4P2RX3BRD4NR1H2NR1H3
SCHEMBL15789798 0.91 BRD4 (0.30) BRD4
SCHEMBL480891 0.90 HRH3 (0.40) PTGER4P2RX3HRH3EGLN1
SCHEMBL732755 0.90 HRH3 (0.40) PTGER4P2RX3HRH3EGLN1
SCHEMBL753157 0.90 SMN1; SMN2 (0.35) PTGER4P2RX3BRD4KDR
SCHEMBL480777 0.90 SMN1; SMN2 (0.35) PTGER4P2RX3BRD4KDR
SCHEMBL480612 0.90 HRH3 (0.40) PTGER4P2RX3HRH3EGLN1
SCHEMBL480714 0.90 PTGER4 (0.35) PTGER4BRD4KDR

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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP 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 PTGER4 543/4885TRPM8 3892/4885P2RX3 696/4885

“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.