SCHEMBL5042285

SCHEMBL5042285

COc1ccc(COCC(=O)O)c(F)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
CTSG P08311 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
BCHE P06276 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE4D Q08499 1/20 0.42
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL5041857 0.78 L3MBTL1 (0.45) MRGPRX4NPC1HPGDL3MBTL1KDM4E
SCHEMBL24162329 0.77 BCHE (0.47) BCHE
SCHEMBL24162245 0.76 BCHE (0.54) KMT2ASMN1; SMN2BCHEL3MBTL1KDM4E
SCHEMBL5042727 0.75 HDAC8 (0.53) ELANECTSGMRGPRX4SMN1; SMN2POLB
SCHEMBL5041808 0.74 SMPD1 (0.57) MRGPRX4MEN1KMT2ASMN1; SMN2POLB
SCHEMBL29575768 0.73 SMPD1 (0.47) ELANECTSGMEN1KMT2ASMN1; SMN2
SCHEMBL30001100 0.73 MRGPRX4 (0.50) ELANECTSGMRGPRX4SMN1; SMN2POLB
SCHEMBL24708301 0.73 MRGPRX4 (0.50) ELANECTSGMRGPRX4SMN1; SMN2POLB
SCHEMBL28415900 0.73 SMPD1 (0.47) ELANECTSGMEN1KMT2ASMN1; SMN2
SCHEMBL5042286 0.73 FABP4 (0.46) MRGPRX4MEN1KMT2ASMN1; SMN2BCHE

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 ELANE 95/4885CTSG 1404/4885MRGPRX4 112/4885

“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.