SCHEMBL3835928

SCHEMBL3835928

COc1ccc(C(=O)C(=O)O)c2occc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 10/20 0.44
NLRP3 Q96P20 1/20 0.41
CDC25B P30305 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
PLK1 P53350 1/20 0.39
CYP1A1 P04798 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL21950956 0.84 KCNA3 (0.49) KCNA3MEN1ALDH1A1LMNAHPGD
SCHEMBL2260593 0.81 KCNA3 (0.42) KCNA3CDC25BMEN1LMNAHPGD
SCHEMBL3253868 0.78 ALDH1A1 (0.49) KCNA3NLRP3CDC25BMEN1ALDH1A1
SCHEMBL28125752 0.75 ALDH1A1 (0.56) KCNA3NLRP3MEN1ALDH1A1LMNA
SCHEMBL14124722 0.73 CDC25B (0.64) CDC25BMEN1ALDH1A1LMNAHPGD
SCHEMBL5722963 0.73 HPGD (0.47) KCNA3NLRP3MEN1ALDH1A1LMNA
SCHEMBL2260596 0.73 PDE4A (0.49) CDC25B
SCHEMBL3836766 0.72 CA9 (0.48) KCNA3MEN1ALDH1A1LMNAHPGD
SCHEMBL17821978 0.72 NLRP3 (0.50) KCNA3NLRP3MEN1ALDH1A1LMNA
SCHEMBL17821981 0.72 NLRP3 (0.50) KCNA3NLRP3MEN1ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 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 (3 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 KCNA3 2940/4885NLRP3 1451/4885CDC25B 572/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 KCNA3 2940/4885NLRP3 1451/4885CDC25B 572/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 KCNA3 2267/4885NLRP3 4806/4885CDC25B 354/4885

“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.