SCHEMBL5015869

SCHEMBL5015869

CCOC(=O)C(Cc1cccc2[nH]ccc12)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
PTGS2 P35354 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
AURKA O14965 1/20 0.39
GLS O94925 1/20 0.37

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
SCHEMBL5782573 0.84 PKM (0.36) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9437517 0.78 PKM (0.68) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6718321 0.77 CA12 (0.45) PKMSMN1; SMN2RECQL
SCHEMBL3370775 0.76 NR3C1 (0.43) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL14774643 0.76 SMN1; SMN2 (0.59) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL29966865 0.74 KMT2A (0.43) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL29966906 0.73 PKM (0.41) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3374948 0.73 HTR1A (0.46) PKMCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11189552 0.73 KDM4E (0.48) MAPTKDM4EOPRM1OPRK1LMNA
SCHEMBL2633083 0.73 DAO (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-1567523-B1 INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-20 EP disclosed
US-7098228-B2 e.g., 3-{1-[2-(3,5-Dimethoxy-phenyl)-5-methyl-oxazol-4-ylmethyl]-1H-indol-4-yl}-2-ethoxy-propionic acid ethyl ester; treating non-insulin dependent diabetes mellitus; PPAR receptor activation HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed
EP-1567523-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004048371-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-20040106657-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-06-03 US 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-20040106657-A1 Indolyl derivatives GPR119, IRS1, INSR PKM 2516/4885SMN1; SMN2 2602/4885CYP1A2 283/4885

“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.