SCHEMBL5043083

SCHEMBL5043083

CNC(=O)COc1cc(C#N)ccc1CNC(=O)C(OC)c1c(F)cc(OC)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ENPP2 Q13822 2/20 0.35
DGAT2 Q96PD7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MGLL Q99685 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL5045512 1.00 F10 (0.39) F10POLBMAPTSMN1; SMN2PKM
SCHEMBL5040874 0.87 ENPP2 (0.42) F10ENPP2DGAT2MGLLKCNH2
SCHEMBL5040886 0.87 ENPP2 (0.42) F10ENPP2DGAT2MGLLKCNH2
SCHEMBL5043572 0.84 DGAT2 (0.39) DGAT2LMNA
SCHEMBL5043577 0.84 DGAT2 (0.39) DGAT2LMNA
SCHEMBL5040640 0.83 F10 (0.56) F10ENPP2DGAT2MGLLPDCD1
Hydrochloric Acid SCHEMBL5040992 0.83 F10 (0.56) F10SMN1; SMN2NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL5041010 0.83 F10 (0.56) F10SMN1; SMN2NPSR1ALDH1A1
SCHEMBL5040624 0.83 F10 (0.56) F10ENPP2DGAT2MGLLPDCD1
SCHEMBL5044097 0.82 P2RX7 (0.44) ENPP2DGAT2HTR2AKCNH2LMNA

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 F10 8/4885POLB 4478/4885MAPT 4423/4885

“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.