SCHEMBL23002181

SCHEMBL23002181

NC1CNC(=O)C(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
TLR4 O00206 1/20 0.31
CYP2D6 P10635 2/20 0.30
LMNA P02545 2/20 0.30

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
SCHEMBL27272784 0.78
SCHEMBL28040157 0.78
SCHEMBL23002187 0.78 IDUA (0.31) CYP2D6LMNABLMALOX15TSHR
SCHEMBL23002172 0.76 TLR4 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26663994 0.72 OAT (0.30)
SCHEMBL23002167 0.68 GABRP (0.43) GABRR1GABRPGABRDGABRA1GABRB1
SCHEMBL27699874 0.67
Acetic Acid SCHEMBL16058398 0.66 BLM (0.33) GABRR1GABRPGABRDGABRA1GABRB1
Acetic Acid SCHEMBL17557048 0.66 BLM (0.33) GABRR1GABRPGABRDGABRA1GABRB1
SCHEMBL24108598 0.66

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-20210051963-A1 METHODS AND COMPOSITIONS TO IMPROVE PLANT HEALTH AND/OR PLANT PERFORMANCE Plant Response, Inc. 2021-02-25 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 (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-20210051963-A1 METHODS AND COMPOSITIONS TO IMPROVE PLANT HEALTH AND/OR PLANT PERFORMANCE GET3, PAH, ITPA GABRR1 2894/4885GABRP 1412/4885GABRD 4060/4885

“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.