SCHEMBL20063083

SCHEMBL20063083

CC(C)c1ccccc1C(=O)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRB2 P47870 2/20 0.45
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
SLC6A2 P23975 2/20 0.41
GABRB1 P18505 2/20 0.41
CYP3A4 P08684 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL270136 0.83 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL23364599 0.82 PTPN1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL29932818 0.82 PTPN1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL7026997 0.81 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL260917 0.80 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL1984108 0.80 HPGD (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL799102 0.79 NR4A2 (0.52) GABRA1GABRB2LMNATSHRCYP1A2
SCHEMBL9864537 0.78 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL1148330 0.78 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL11434602 0.77 MAPT (0.47) GABRA1GABRG2GABRB3GABRB2LMNA

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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 GABRA1 2549/4885GABRG2 2901/4885GABRB3 2244/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 GABRA1 4392/4885GABRG2 3032/4885GABRB3 4174/4885

“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.