SCHEMBL25919489

SCHEMBL25919489

N[C@@H](Cc1cccnc1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
NOS3 P29474 3/20 0.49
NOS1 P29475 3/20 0.49
NOS2 P35228 3/20 0.49
SLC7A5 Q01650 4/20 0.49
USP2 O75604 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HIF1A Q16665 3/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PTGS1 P23219 2/20 0.49

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
Hydrochloric Acid SCHEMBL25315258 0.98 CYP1A2 (0.50) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL2263038 0.83 CYP1A2 (0.51) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL5288744 0.82 CYP1A2 (0.50) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL7270961 0.82 CYP1A2 (0.54) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL31267206 0.82 KDM4E (0.58) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL7271800 0.82 CYP1A2 (0.50) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL10681044 0.82 CYP1A2 (0.50) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL5286221 0.82 CYP1A2 (0.50) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL31754264 0.82 CYP1A2 (0.54) CYP1A2NOS3NOS1NOS2SLC7A5
SCHEMBL5283008 0.82 CYP1A2 (0.54) CYP1A2NOS3NOS1NOS2SLC7A5

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-20230340018-A1 MPRO CYSTEINE PROTEASE INHIBITORS ANIXA BIOSCIENCES, INC. 2023-10-26 US disclosed
US-20230234984-A1 CYSTEINE PROTEASE INHIBITORS AND METHODS OF USE THEREOF ANIXA BIOSCIENCES, INC. 2023-07-27 US disclosed
US-20230234984-A1 CYSTEINE PROTEASE INHIBITORS AND METHODS OF USE THEREOF ANIXA BIOSCIENCES, INC. 2023-07-27 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-20230234984-A1 CYSTEINE PROTEASE INHIBITORS AND METHODS OF USE THEREOF SERPINB1, PREP, HPN CYP1A2 3545/4885NOS3 3946/4885NOS1 4115/4885
US-20230340018-A1 MPRO CYSTEINE PROTEASE INHIBITORS SERPINB1, PREP, PRCP CYP1A2 3608/4885NOS3 4567/4885NOS1 4543/4885

“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.