SCHEMBL5041230

SCHEMBL5041230

COc1ccc([C@H](OC)C(=O)NCc2ccc(C(=N)NO)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.40
ANPEP P15144 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
F2 P00734 1/20 0.39
MEN1 O00255 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL5041225 1.00 L3MBTL1 (0.41) L3MBTL1ALDH1A1HDAC1HDAC6NPC1
SCHEMBL5041334 0.91 MAPK1 (0.40) L3MBTL1ALDH1A1HDAC1HDAC6NPC1
SCHEMBL5041340 0.91 MAPK1 (0.40) L3MBTL1ALDH1A1HDAC1HDAC6NPC1
SCHEMBL5040905 0.89 ALDH1A1 (0.41) L3MBTL1ALDH1A1HDAC1HDAC6NPC1
SCHEMBL5042056 0.89 F2 (0.49) L3MBTL1ALDH1A1NPC1RAB9APKM
SCHEMBL5040912 0.89 ALDH1A1 (0.41) L3MBTL1ALDH1A1HDAC1HDAC6NPC1
SCHEMBL5042049 0.89 F2 (0.49) L3MBTL1ALDH1A1NPC1RAB9APKM
Hydrochloric Acid SCHEMBL5045900 0.88 F2 (0.49) L3MBTL1ALDH1A1PKMKMT2AF2
Hydrochloric Acid SCHEMBL5045897 0.88 F2 (0.49) L3MBTL1ALDH1A1PKMKMT2AF2
SCHEMBL5037450 0.81 GSK3B (0.43) L3MBTL1ALDH1A1RAB9APKMKMT2A

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 10 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 claimed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US claimed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP claimed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US claimed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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 L3MBTL1 1475/4885ALDH1A1 519/4885HDAC1 3142/4885

“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.