SCHEMBL17878731

SCHEMBL17878731

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SLC15A1 P46059 1/20 0.52
LTA4H P09960 3/20 0.50
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LAP3 P28838 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.48
CTSL P07711 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
SCHEMBL14908325 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL216743 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL216744 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL8232952 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL12053128 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL29400943 0.98 ALDH1A1 (0.53) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL17389326 0.98 ALDH1A1 (0.53) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL6178492 0.98 ALDH1A1 (0.53) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL17389325 0.98 ALDH1A1 (0.53) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Oxalic Acid SCHEMBL3340626 0.97 ALDH1A1 (0.51) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2

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
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 ALDH1A1 4807/4885SLC15A1 489/4885LTA4H 1192/4885

“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.