SCHEMBL5047524

SCHEMBL5047524

CCOC(C(=O)NCc1ccc(C(=N)NO)cc1)c1c(F)cc(-c2ccco2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
KLKB1 P03952 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
UBE2I P63279 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
SAE1 Q9UBE0 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
SCHEMBL5047530 1.00 F10 (0.39) F10HPGDTSHRALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL5041693 0.88 F10 (0.44) F10HPGDTSHRALDH1A1KMT2A
SCHEMBL5038046 0.84 HPGD (0.39) HPGDTSHRALDH1A1SMN1; SMN2PPARG
SCHEMBL5038045 0.84 HPGD (0.39) HPGDTSHRALDH1A1SMN1; SMN2PPARG
SCHEMBL5037821 0.79 F10 (0.41) F10ALDH1A1KLKB1HDAC1
SCHEMBL5037819 0.79 F10 (0.41) F10ALDH1A1KLKB1HDAC1
SCHEMBL5037604 0.79 F10 (0.38) F10HPGDALDH1A1PKMKLKB1
SCHEMBL5037594 0.79 F10 (0.38) F10HPGDALDH1A1PKMKLKB1
SCHEMBL5037611 0.79 F10 (0.38) F10HPGDALDH1A1PKMKLKB1
SCHEMBL5042353 0.78 F10 (0.52) F10ALDH1A1PPARGKMT2AKLKB1

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 F10 8/4885HPGD 2678/4885TSHR 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.