SCHEMBL5041166

SCHEMBL5041166

O=C(O)COCc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
PTGDR2 Q9Y5Y4 9/20 0.45
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
SRD5A2 P31213 1/20 0.40
FFAR1 O14842 1/20 0.40
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL5042108 0.88 IDO1 (0.56) IDO1PTGDR2PPARDPPARAMRGPRX4
SCHEMBL5271878 0.82 POLQ (0.48) PTGDR2PPARDPPARASRD5A2
SCHEMBL10856274 0.81 IDO1 (0.49) IDO1PTGDR2MRGPRX4SRD5A2USP30
SCHEMBL892902 0.79 IDO1 (0.51) IDO1PTGDR2
SCHEMBL30120834 0.79 IDO1 (0.51) IDO1PTGDR2
SCHEMBL5041564 0.78 PTGDR2 (0.49) PTGDR2POLB
SCHEMBL5041931 0.78 TSHR (0.43) PTGDR2PPARDMRGPRX4FFAR1PPARG
SCHEMBL3149265 0.78 IDO1 (0.63) IDO1MRGPRX4USP30
SCHEMBL14255640 0.77 IDO1 (0.58) IDO1MRGPRX4SRD5A2FFAR1POLB
SCHEMBL30151142 0.76 IDO1 (0.49) IDO1PTGDR2FFAR1

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 IDO1 742/4885PTGDR2 3438/4885PPARD 4571/4885

“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.