SCHEMBL752394

SCHEMBL752394

Cc1cc([C@@](O)([C@@H](C)c2ccc(Oc3ncc(C(=O)O)c(C(F)(F)F)n3)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
CYP1A2 P05177 1/20 0.31
KDR P35968 1/20 0.31
S1PR2 O95136 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
BRD4 O60885 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
SCHEMBL480676 1.00 PTGER4 (0.34) PTGER4CYP1A2KDRS1PR2NR1H4
SCHEMBL480682 0.93 LMNA (0.34) PTGER4KDRS1PR2BRD4
SCHEMBL753379 0.93 LMNA (0.34) PTGER4KDRS1PR2BRD4
SCHEMBL15789681 0.90 PTGER4 (0.32) PTGER4KDR
SCHEMBL752378 0.88 PTGER4 (0.34) PTGER4NR1H4
SCHEMBL480771 0.88 PTGER4 (0.34) PTGER4NR1H4
SCHEMBL15789753 0.87 KDR (0.31) PTGER4KDRS1PR2BRD4
SCHEMBL480645 0.87 PTGER4 (0.34) PTGER4KDRNR1H4BRD4
SCHEMBL754996 0.87 PTGER4 (0.34) PTGER4KDRNR1H4BRD4
SCHEMBL480607 0.85 MAPT (0.35) PTGER4KDR

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 PTGER4 543/4885CYP1A2 209/4885KDR 733/4885

“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.