SCHEMBL5363406

SCHEMBL5363406

CCOC(=O)CC1(c2ccc(NC(C)=O)cc2)C(O)c2ccccc2C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.46
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL5366931 0.75 ALDH1A1 (0.61) PPIDMAPTKMT2AMEN1LMNA
SCHEMBL5366646 0.75 GAA (0.47) PPIDMAPTKMT2AMEN1LMNA
SCHEMBL10685516 0.68 PPID (0.63) PPIDMAPTKMT2AMEN1LMNA
SCHEMBL10499213 0.68 PPID (0.63) PPIDMAPTKMT2AMEN1LMNA
SCHEMBL19390510 0.67 SMN1; SMN2 (0.67) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL11817229 0.67 PPID (0.55) PPIDMAPTKMT2AMEN1LMNA
SCHEMBL6986632 0.67 HDAC3 (0.62) PPIDMAPTKMT2AMEN1LMNA
SCHEMBL829971 0.66 KMT2A (0.71) PPIDMAPTKMT2AMEN1LMNA
SCHEMBL6984766 0.66 CYP4F2 (0.64) PPIDMAPTKMT2AMEN1LMNA
SCHEMBL31225554 0.65 PPID (0.59) PPIDMAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US disclosed
EP-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 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-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 PPID 4158/4885MAPT 4800/4885KMT2A 2556/4885

“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.