SCHEMBL23947614

SCHEMBL23947614

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SLC1A1 P43005 4/20 0.50
KMT2A Q03164 2/20 0.50
IDO1 P14902 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC15A1 P46059 1/20 0.48
LTA4H P09960 1/20 0.48
LAP3 P28838 1/20 0.48
SLC1A3 P43003 3/20 0.47
SLC1A2 P43004 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALPI P09923 1/20 0.47

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
SCHEMBL7419152 0.88 SLC1A1 (0.60) ALDH1A1SLC1A1KMT2AIDO1MAPK1
SCHEMBL7419155 0.88 SLC1A1 (0.60) ALDH1A1SLC1A1KMT2AIDO1MAPK1
Hydrochloric Acid SCHEMBL4704977 0.86 ALDH1A1 (0.53) ALDH1A1SLC1A1KMT2AIDO1MAPK1
SCHEMBL6119410 0.86 ALDH1A1 (0.53) ALDH1A1SLC1A1KMT2AIDO1MAPK1
Hydrochloric Acid SCHEMBL11024444 0.86 SLC1A1 (0.59) ALDH1A1SLC1A1KMT2AIDO1MAPK1
Hydrochloric Acid SCHEMBL25224887 0.86 ALDH1A1 (0.53) ALDH1A1SLC1A1KMT2AIDO1MAPK1
SCHEMBL1708893 0.86 ALDH1A1 (0.53) ALDH1A1SLC1A1KMT2AIDO1MAPK1
SCHEMBL6118400 0.86 ALDH1A1 (0.53) ALDH1A1SLC1A1KMT2AIDO1MAPK1
Hydrochloric Acid SCHEMBL20996762 0.86 SLC1A1 (0.59) ALDH1A1SLC1A1KMT2AIDO1MAPK1
SCHEMBL9544573 0.86 CYP1A2 (0.53) ALDH1A1SLC1A1KMT2AIDO1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323908-A1 PROCESS FOR PRODUCING TCA CYCLE INTERMEDIATE CONJUGATES IMBRIA PHARMACEUTICALS, INC. 2021-10-21 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-20210323908-A1 PROCESS FOR PRODUCING TCA CYCLE INTERMEDIATE CONJUGATES BCAT1, BCAT2, QPCT ALDH1A1 395/4885SLC1A1 111/4885KMT2A 2524/4885

“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.