SCHEMBL5042471

SCHEMBL5042471

CCOc1cc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c([C@H](OC)C(=O)NCc2ccc(C#N)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 4/20 0.42
MAPT P10636 1/20 0.42
F10 P00742 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 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
SCHEMBL5042467 1.00 KMT2A (0.43) KMT2AMEN1PKMMAPTF10
SCHEMBL5040925 0.88 F10 (0.43) MAPTF10
Hydrochloric Acid SCHEMBL5037727 0.88 F10 (0.53) KMT2AMEN1PKMMAPTF10
Hydrochloric Acid SCHEMBL5037723 0.88 F10 (0.53) KMT2AMEN1PKMMAPTF10
SCHEMBL5041286 0.88 F10 (0.49) F10
SCHEMBL5041282 0.88 F10 (0.49) F10
SCHEMBL5045638 0.84 F10 (0.39) KMT2AMEN1F10ALDH1A1
SCHEMBL5045642 0.84 F10 (0.39) KMT2AMEN1F10ALDH1A1
SCHEMBL5040944 0.83 GPR119 (0.50) F10
SCHEMBL5041195 0.81 MEN1 (0.39) KMT2AMEN1PKMALDH1A1

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 KMT2A 1963/4885MEN1 766/4885PKM 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.