SCHEMBL755674

SCHEMBL755674

Cc1cc([C@@](O)([C@@H](C)c2ccc(Oc3ccc(C(=O)O)cc3F)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 2/20 0.34
PTGER4 P35408 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 2/20 0.34
S1PR2 O95136 2/20 0.33
CREBBP Q92793 1/20 0.33
PTGER2 P43116 2/20 0.33
PPARG P37231 2/20 0.33
SCN9A Q15858 1/20 0.32
HIF1A Q16665 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
FFAR1 O14842 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
SCHEMBL480855 1.00 IGFBP3 (0.34) IGFBP3PTGER4LMNAMAPK1HTT
SCHEMBL480761 0.93 MRGPRX4 (0.35) PTGER4BRD4PTGER2MRGPRX4FFAR1
SCHEMBL733612 0.93 MRGPRX4 (0.35) PTGER4BRD4PTGER2MRGPRX4FFAR1
SCHEMBL733736 0.93 MRGPRX4 (0.35) PTGER4BRD4PTGER2MRGPRX4FFAR1
SCHEMBL754981 0.91 EGLN1 (0.35) PTGER4BRD4PTGER2SCN9AMRGPRX4
SCHEMBL480514 0.91 EGLN1 (0.35) PTGER4BRD4PTGER2SCN9AMRGPRX4
SCHEMBL752275 0.89 IGFBP3 (0.35) IGFBP3PTGER4LMNAMAPK1HTT
SCHEMBL732703 0.89 IGFBP3 (0.35) IGFBP3PTGER4LMNAMAPK1HTT
SCHEMBL481056 0.86 CYP11B1 (0.36) BRD4CREBBPFFAR1
SCHEMBL480726 0.86 P2RX3 (0.33) PTGER4BRD4S1PR2CREBBPPPARG

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 IGFBP3 2334/4885PTGER4 543/4885LMNA 1995/4885

“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.