SCHEMBL5041564

SCHEMBL5041564

O=C(O)COCc1cc(Br)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.49
AKR1B1 P15121 3/20 0.42
PKM P14618 1/20 0.40
AKR1A1 P14550 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL5041244 0.87 AKR1B1 (0.50) PTGDR2AKR1B1AKR1A1DGAT1
SCHEMBL28371996 0.82 USP28 (0.40) BRD4BRD2BRD3BRDTDGAT1
SCHEMBL8174893 0.81 PTGDR2 (0.49) PTGDR2AKR1B1AKR1A1POLBTSHR
SCHEMBL5041931 0.81 TSHR (0.43) PTGDR2TSHRRAB9A
SCHEMBL2349186 0.78 FFAR4 (0.50) POLB
SCHEMBL5041166 0.78 IDO1 (0.56) PTGDR2POLB
SCHEMBL16294219 0.78 PTGDR2 (0.54) PTGDR2POLBTDP1L3MBTL1
SCHEMBL21187229 0.78 PTGDR2 (0.47) PTGDR2AKR1B1POLBTSHRCTDSP1
SCHEMBL135166 0.78 PTGDR2 (0.44) PTGDR2AKR1B1TSHRBRD4BRD2
SCHEMBL3172071 0.77 PTGDR2 (0.48) PTGDR2AKR1B1POLBTSHRCTDSP1

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 PTGDR2 3438/4885AKR1B1 2931/4885PKM 4225/4885

“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.