SCHEMBL24038484

SCHEMBL24038484

CCOC(=O)c1cc(=O)c(C(=O)O)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
GABRA1 P14867 4/20 0.45
GABRB2 P47870 4/20 0.45
GABRB1 P18505 3/20 0.45
GABRA3 P34903 3/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL21776563 0.90 KMT2A (0.50) HPGDSGABRA1GABRB2GABRB1GABRA3
SCHEMBL6242911 0.79 NOTUM (0.53) GABRA1GABRB2GABRB1GABRA3GABRP
SCHEMBL18473811 0.77 ALDH1A1 (0.45) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL15333212 0.77 KMT2A (0.53) GABRA1GABRB2GABRB1GABRA3CYP1A2
SCHEMBL2148753 0.76 GABRP (0.51) GABRA1GABRB2GABRB1GABRA3GABRP
SCHEMBL16453472 0.75 CA12 (0.52) GABRA1GABRB2GABRB1GABRA3GABRP
SCHEMBL14791060 0.75 GABRA1 (0.50) GABRA1GABRB2GABRB1GABRA3GABRP
SCHEMBL2518047 0.75 BAZ2B (0.56) GABRA1GABRB2GABRB1GABRA3GABRP
SCHEMBL162674 0.75 GABRP (0.50) GABRA1GABRB2GABRB1GABRA3GABRP
SCHEMBL5568378 0.75 ALDH1A1 (0.51) GABRA1GABRB2GABRB1GABRA3GABRP

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-20210355107-A1 MULTI-SUBSTITUTED PYRIDONE DERIVATIVES AND MEDICAL USE THEREOF BEIJING YUEZHIKANGTAI BIOMEDICINES CO LTD (CN) 2021-11-18 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-20210355107-A1 MULTI-SUBSTITUTED PYRIDONE DERIVATIVES AND MEDICAL USE THEREOF PDXK, ITK, JAK1 HPGDS 1069/4885GABRA1 1967/4885GABRB2 2731/4885

“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.