SCHEMBL17344765

SCHEMBL17344765

CC(C)C1=C(C(C)C)c2ccccc2CSN1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
CDC25A P30304 2/20 0.31
CDC25B P30305 2/20 0.31

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
SCHEMBL17344796 0.73 CA12 (0.47) CDC25ACDC25B
SCHEMBL17344793 0.71 CDC25A (0.33) CDC25ACDC25B
SCHEMBL17344764 0.70 PARP1 (0.50)
SCHEMBL17349231 0.69 ACHE (0.38) ACHE
SCHEMBL17344770 0.68 PDPK1 (0.40)
SCHEMBL17344773 0.67 KDM4E (0.36) CDC25ACDC25B
SCHEMBL17344788 0.63 NOS2 (0.33) CDC25ACDC25B
SCHEMBL3489535 0.62
SCHEMBL5702808 0.54 PTPN1 (0.39) ACHECDC25ACDC25B
SCHEMBL4509523 0.54 PNMT (0.39)

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-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA ACHE 3175/4885CDC25A 1053/4885CDC25B 1146/4885

“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.