SCHEMBL752275

SCHEMBL752275

C[C@H](c1ccc(Oc2ccc(C(=O)O)cc2F)cc1Cl)[C@@](O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 2/20 0.35
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 1/20 0.34
FFAR1 O14842 2/20 0.33
KCNH2 Q12809 2/20 0.33
PTGER2 P43116 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
S1PR2 O95136 1/20 0.33
F11 P03951 1/20 0.33
CYP2C9 P11712 1/20 0.33
CACNA1C Q13936 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 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
SCHEMBL732703 1.00 IGFBP3 (0.35) IGFBP3PTGER4LMNAMAPK1HTT
SCHEMBL753287 0.93 FFAR1 (0.36) PTGER4FFAR1KCNH2HTR2ASLC6A4
SCHEMBL480742 0.93 FFAR1 (0.36) PTGER4FFAR1KCNH2HTR2ASLC6A4
SCHEMBL753038 0.90 PTGER4 (0.38) PTGER4RAB9AFFAR1F11CYP2C9
SCHEMBL734434 0.90 PTGER4 (0.38) PTGER4RAB9AFFAR1F11CYP2C9
SCHEMBL755674 0.89 IGFBP3 (0.34) IGFBP3PTGER4LMNAMAPK1HTT
SCHEMBL480855 0.89 IGFBP3 (0.34) IGFBP3PTGER4LMNAMAPK1HTT
SCHEMBL734303 0.87 PTGER4 (0.34) PTGER4BRD4FFAR1PTGER2F11
SCHEMBL754530 0.87 PTGER4 (0.34) PTGER4BRD4FFAR1PTGER2F11
SCHEMBL733559 0.86 CYP11B1 (0.38) BRD4FFAR1KCNH2HTR2ASLC6A4

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 5 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

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.