SCHEMBL6840511

SCHEMBL6840511

Cn1nccc1-c1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC13A5 Q86YT5 1/20 0.39
DRD1 P21728 1/20 0.38
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PORCN Q9H237 1/20 0.35
NAAA Q02083 1/20 0.34
BRD4 O60885 2/20 0.34
CD274 Q9NZQ7 1/20 0.34
BRD3 Q15059 1/20 0.34
NT5E P21589 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33

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
SCHEMBL16334163 0.77 KIF11 (0.42) CYP3A4CYP2D6MAPT
SCHEMBL878070 0.77
SCHEMBL21381815 0.76 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6610995 0.74 NOTUM (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6609673 0.73 ESR1 (0.38) CYP3A4ALOX5ABL1
SCHEMBL15225532 0.73 MGLL (0.47) CYP2C9CD274MAPT
SCHEMBL574865 0.73 CYP19A1 (0.32) CYP19A1MAPT
SCHEMBL19433226 0.72 CA2 (0.42)
SCHEMBL6607392 0.71 ATM (0.35)
SCHEMBL3681691 0.71 CA2 (0.45) ALDH1A1

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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CYP1A2 1151/4885CYP3A4 1806/4885CYP2D6 1700/4885

“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.