SCHEMBL4156818

SCHEMBL4156818

CC(C)(C)OC(=O)c1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 9/20 0.51
▸ PDK2 Q15119 9/20 0.51
▸ PDK3 Q15120 9/20 0.51
▸ PDK4 Q16654 9/20 0.51
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KLK7 P49862 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27953738 0.86 KMT2A (0.63) PDK1PDK2PDK3PDK4POLB
SCHEMBL4749810 0.84 GAA (0.54) POLBLMNAKMT2AADRA1AADRA1B
SCHEMBL29663621 0.83 RXFP1 (0.55) POLBLMNAKMT2ARXFP1ADRA1A
SCHEMBL2404746 0.81 PDK1 (0.43) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL16255882 0.81 LMNA (0.47) PDK1PDK2PDK3PDK4POLB
SCHEMBL9133220 0.81 TDP1 (0.63) POLBLMNATSHRCYP1A2CYP2C19
SCHEMBL10565574 0.80 ADRA1A (0.52) POLBLMNAKMT2ARXFP1ADRA1A
SCHEMBL943096 0.79 PDK1 (0.71) PDK1PDK2PDK3PDK4POLB
SCHEMBL1061421 0.79 ADRA1A (0.51) POLBLMNAKMT2AADRA1AADRA1B
SCHEMBL7200106 0.79 KDM4E (0.68) POLBLMNAKMT2ARXFP1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 — — US claimed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 — — EP claimed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 — — WO claimed
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 — — US disclosed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 — — EP disclosed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 — — WO 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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL PDK1 1573/4885PDK2 1049/4885PDK3 950/4885

“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.

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