SCHEMBL835783

SCHEMBL835783

CCC[C@@H]([C@H](O)c1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.57
GAA P10253 1/20 0.38
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ASAH1 Q13510 1/20 0.38
ACER2 Q5QJU3 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36
SMPD2 O60906 2/20 0.36
SMPD1 P17405 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL14965960 0.83 AOC3 (0.40) AOC3GAARIPK1ALDH1A1KDM4E
SCHEMBL14910072 0.78 RIPK1 (0.43) AOC3RIPK1ALDH1A1POLBLMNA
SCHEMBL5065151 0.76 KDM4E (0.55) AOC3GAAALDH1A1KDM4ESLC6A4
SCHEMBL14908702 0.76 KDM4E (0.55) AOC3GAAALDH1A1KDM4ESLC6A4
SCHEMBL3005419 0.76 AOC3 (0.51) AOC3GAAALDH1A1KDM4EATM
SCHEMBL5065158 0.76 KDM4E (0.55) AOC3GAAALDH1A1KDM4ESLC6A4
SCHEMBL1529959 0.76 AOC3 (0.37) AOC3GAAALDH1A1KDM4EATM
SCHEMBL1529961 0.76 AOC3 (0.37) AOC3GAAALDH1A1KDM4EATM
SCHEMBL19459927 0.74 GAA (0.44) AOC3GAAALDH1A1KDM4EPOLB
SCHEMBL19517259 0.74 GAA (0.44) AOC3GAAALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 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-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 AOC3 2843/4885GAA 215/4885RIPK1 4283/4885

“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.