SCHEMBL5042591

SCHEMBL5042591

CCOC(C(=O)NCc1ccc(C(=N)NO)c(Cl)c1)c1ccc(OC)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.40
FFAR1 O14842 2/20 0.40
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL5042604 1.00 PTGES (0.40) PTGESFFAR1TSHRSMN1; SMN2KMT2A
Acetic Acid SCHEMBL5042009 0.88 FFAR1 (0.41) PTGESFFAR1TSHRSMN1; SMN2KMT2A
SCHEMBL5041334 0.86 MAPK1 (0.40) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5041340 0.86 MAPK1 (0.40) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5040803 0.82 PTGES (0.41) PTGESFFAR1TSHRSMN1; SMN2KMT2A
SCHEMBL5040806 0.82 PTGES (0.41) PTGESFFAR1TSHRSMN1; SMN2KMT2A
SCHEMBL5045698 0.80 F2 (0.47) KMT2AALDH1A1L3MBTL1
SCHEMBL5045691 0.80 F2 (0.47) KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL5047834 0.79 F2 (0.47) KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5041977 0.79 F2 (0.47) KMT2AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US claimed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US claimed
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 PTGES 3499/4885FFAR1 1355/4885TSHR 2403/4885

“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.