SCHEMBL17020136

SCHEMBL17020136

CN(C)CC(=O)N(C)CC(O)CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TYMP P19971 1/20 0.31

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
SCHEMBL10305069 0.81 LMNA (0.33) LMNAALDH1A1TYMP
SCHEMBL17703490 0.81 LMNA (0.33) LMNAALDH1A1TYMP
SCHEMBL21056824 0.79 ALDH1A1 (0.38) LMNAALDH1A1TYMP
SCHEMBL17823732 0.79 ALDH1A1 (0.38) LMNAALDH1A1TYMP
SCHEMBL13745674 0.79 GAA (0.38) LMNAALDH1A1TYMP
SCHEMBL17823959 0.79 ALDH1A1 (0.38) LMNAALDH1A1TYMP
SCHEMBL11345701 0.79 GAA (0.38) LMNAALDH1A1TYMP
SCHEMBL14149338 0.79 LMNA (0.41) LMNA
SCHEMBL8745038 0.78 TDP1 (0.47) LMNA
SCHEMBL12323568 0.78 LMNA (0.34) LMNAALDH1A1TYMP

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-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 US disclosed
US-20150232418-A1 HYDROXY-SUBSTITUTED AMINO AND AMMONIUM DERIVATIVES AND THEIR MEDICAL USE GLYCOREGIMMUNE, INC. (US) 2015-08-20 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-20150232418-A1 HYDROXY-SUBSTITUTED AMINO AND AMMONIUM DERIVATIVES AND THEIR MEDICAL USE PAH, AADAT, HRH3 LMNA 3911/4885ALDH1A1 542/4885TYMP 962/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 LMNA 2135/4885ALDH1A1 999/4885TYMP 1510/4885

“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.