SCHEMBL21189175

SCHEMBL21189175

N[C@@H](CCP(=O)(O)O)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
ANPEP P15144 3/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
LAP3 P28838 3/20 0.46
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
Methyl Alcohol SCHEMBL28469240 0.97 S1PR2 (0.48) S1PR2S1PR4S1PR1S1PR3ANPEP
SCHEMBL28469239 0.85 CETP (0.47) ANPEPERAP1ERAP2LAP3IDO1
SCHEMBL28796023 0.84 LAP3 (0.49) ANPEPERAP1ERAP2LAP3IDO1
SCHEMBL6432522 0.84 LAP3 (0.49) ANPEPERAP1ERAP2LAP3IDO1
SCHEMBL21189194 0.84 ALDH1A1 (0.45) LAP3IDO1ALDH1A1SLC1A3SLC1A1
SCHEMBL21189144 0.84 ALDH1A1 (0.45) LAP3IDO1ALDH1A1SLC1A3SLC1A1
SCHEMBL4161005 0.82 IDO1 (0.53) ANPEPLAP3IDO1ALDH1A1SLC1A3
SCHEMBL10441465 0.82 IDO1 (0.53) ANPEPLAP3IDO1ALDH1A1SLC1A3
SCHEMBL28291253 0.82 SLC1A3 (0.50) LAP3IDO1ALDH1A1SLC1A3SLC1A1
SCHEMBL22433276 0.81 ALDH1A1 (0.50) LAP3IDO1ALDH1A1SLC1A3SLC1A1

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 S1PR2 96/4885S1PR4 179/4885S1PR1 97/4885
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD HACL2, HAO2, HPD S1PR2 96/4885S1PR4 179/4885S1PR1 97/4885

“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.