SCHEMBL8530664

SCHEMBL8530664

CCOC(=O)CCNC(=O)CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
HTT P42858 1/20 0.48
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ECE1 P42892 1/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TOP2A P11388 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FAAH O00519 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40

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
SCHEMBL12999585 0.93 GAA (0.49) GAAHTTPOLBCYP3A4CYP2D6
SCHEMBL12999386 0.86 GAA (0.54) GAAPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL8576726 0.85 GAA (0.49) GAAHTTPOLBCYP3A4CYP2D6
SCHEMBL15726347 0.85 CASP2 (0.52) GAAPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL12999503 0.84 GAA (0.47) GAAPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL8565179 0.83 GAA (0.52) GAAHTTPOLBCYP3A4CYP2D6
SCHEMBL19057148 0.83 GAA (0.70) GAAHTTMGAMSIMGAM2
SCHEMBL5571264 0.82 KMT2A (0.52) GAAPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL3220536 0.82 GAA (0.56) GAAPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL1912575 0.82 TSHR (0.54) ECE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 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 (2 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN GAA 585/4885HTT 1478/4885POLB 2845/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME GAA 427/4885HTT 3614/4885POLB 3740/4885

“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.