SCHEMBL3415682

SCHEMBL3415682

CC(Cl)C(C)(C)OC(=O)CCC(=O)OC(C)(C)C(C)Cl

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35

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
SCHEMBL28312360 0.83 TSHR (0.39) TSHR
SCHEMBL4479106 0.78
SCHEMBL3336089 0.76 LMNA (0.30)
SCHEMBL1557272 0.76 EGLN1 (0.43) TSHR
SCHEMBL2611784 0.73 ALDH1A1 (0.48) TSHR
SCHEMBL24360329 0.72 CYP2D6 (0.37) TSHR
SCHEMBL27383692 0.72 TSHR (0.31) TSHR
SCHEMBL21357989 0.71 TSHR (0.33) TSHR
SCHEMBL22113486 0.70 EGLN1 (0.38) TSHR
SCHEMBL21811589 0.70 CYP2D6 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US claimed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US claimed

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-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B TSHR 3974/4885

“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.