SCHEMBL21189194

SCHEMBL21189194

COP(=O)(CC[C@H](N)C(=O)OCc1ccccc1)OC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LAP3 P28838 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
LTA4H P09960 3/20 0.44
KYNU Q16719 1/20 0.43
IDO1 P14902 1/20 0.43
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC15A1 P46059 1/20 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
SCHEMBL21189144 1.00 ALDH1A1 (0.45) ALDH1A1LAP3SLC1A3SLC1A1LTA4H
Methyl Alcohol SCHEMBL28469240 0.84 S1PR2 (0.48) ALDH1A1LAP3IDO1
SCHEMBL21189175 0.84 S1PR2 (0.50) ALDH1A1LAP3SLC1A3SLC1A1IDO1
SCHEMBL21189149 0.82 ALDH1A1 (0.43) ALDH1A1LTA4HMAPK1L3MBTL1KMT2A
SCHEMBL21189148 0.82 ALDH1A1 (0.43) ALDH1A1LTA4HMAPK1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL27452128 0.80 LTA4H (0.56) ALDH1A1LAP3SLC1A3SLC1A1LTA4H
SCHEMBL12869905 0.79 ALDH1A1 (0.53) ALDH1A1LAP3SLC1A3SLC1A1LTA4H
SCHEMBL3096935 0.79 ALDH1A1 (0.53) ALDH1A1LAP3SLC1A3SLC1A1LTA4H
SCHEMBL21174075 0.79 KYNU (0.59) ALDH1A1KYNU
SCHEMBL21174135 0.79 KYNU (0.59) ALDH1A1KYNU

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-10774098-B2 Nahlsgen optical resolution method KYOTO UNIVERSITY (JP) 2020-09-15 US disclosed
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD KYOTO UNIVERSITY (JP) 2019-07-25 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-10774098-B2 Nahlsgen optical resolution method HACL2, HAO2, HPD ALDH1A1 150/4885LAP3 1325/4885SLC1A3 816/4885
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD HACL2, HAO2, HPD ALDH1A1 150/4885LAP3 1325/4885SLC1A3 816/4885

“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.