SCHEMBL5366646

SCHEMBL5366646

CCOC(=O)CC1(c2ccc(NC(C)=O)cc2)Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PPID Q08752 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
TP53 P04637 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
SCHEMBL5370220 0.82 GAA (0.48) GAAPPIDLMNACYP1A2ALDH1A1
SCHEMBL5366931 0.76 ALDH1A1 (0.61) PPIDLMNAMEN1KMT2ACYP1A2
SCHEMBL5363406 0.75 PPID (0.46) PPIDLMNAMEN1KMT2ACYP1A2
SCHEMBL11769032 0.71 BRD4 (0.43) GAAPPIDLMNAMEN1KMT2A
SCHEMBL3315498 0.71 BRD4 (0.43) GAAPPIDLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL27726895 0.70 BRD4 (0.43) GAAPPIDLMNAMEN1KMT2A
SCHEMBL17669441 0.70 GAA (0.45) GAALMNAKMT2AMAPTSMN1; SMN2
SCHEMBL22904560 0.69 BRD4 (0.48) GAAPPIDLMNAMEN1KMT2A
SCHEMBL829971 0.69 KMT2A (0.71) GAAPPIDLMNAMEN1KMT2A
SCHEMBL10499213 0.68 PPID (0.63) PPIDLMNAMEN1KMT2ACYP1A2

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 GAA 3792/4885PPID 4158/4885LMNA 1237/4885

“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.