SCHEMBL25544940

SCHEMBL25544940

Cc1csc(-c2cnc(C)c(C(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.44
GRIN2B Q13224 16/20 0.44
GRIN1 Q05586 2/20 0.44
DAO P14920 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL25547252 0.84 GRIN2B (0.41) GRIN2BGRIN1
SCHEMBL25544881 0.78 KDM4E (0.54) PIK3C3GRIN2BKDM4EKMT2A
SCHEMBL25544941 0.77 IKBKE (0.50) PIK3C3GRIN2BGRIN1DAOKDM4E
SCHEMBL25544916 0.73 PIK3C3 (0.44) PIK3C3KDM4EKMT2A
SCHEMBL25544923 0.73 CHEK2 (0.55) PIK3C3
SCHEMBL612856 0.73 KDM4E (0.48) PIK3C3KDM4EKMT2A
SCHEMBL20049804 0.72 GRIN2B (0.44) GRIN2BGRIN1SLC6A7
SCHEMBL2322786 0.72 LDHA (0.54) PIK3C3
SCHEMBL22106314 0.72 DAO (0.52) DAOKDM4EKMT2A
SCHEMBL11009661 0.72 DAO (0.41) GRIN2BGRIN1DAOKDM4EKMT2A

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-20230150997-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-05-18 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-20230150997-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 PIK3C3 478/4885GRIN2B 3212/4885GRIN1 3262/4885

“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.