SCHEMBL3225600

SCHEMBL3225600

COc1ccc(N(CC(=O)C(F)(F)F)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
BCL2A1 Q16548 2/20 0.39
TSHR P16473 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RNF4 P78317 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MLYCD O95822 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3660817 0.85 KEAP1 (0.49) L3MBTL1BCL2A1TSHRKEAP1NFE2L2
SCHEMBL4002016 0.85 MLYCD (0.43) L3MBTL1BCL2A1TSHRKEAP1NFE2L2
SCHEMBL1429908 0.83 RNF4 (0.45) BCL2A1TSHRKEAP1NFE2L2LMNA
SCHEMBL8710639 0.78 TSHR (0.39) L3MBTL1BCL2A1TSHRKEAP1NFE2L2
SCHEMBL12520776 0.77 LMNA (0.46) L3MBTL1TSHRKEAP1NFE2L2LMNA
SCHEMBL18171793 0.76 TSHR (0.38) L3MBTL1BCL2A1TSHRKEAP1NFE2L2
SCHEMBL14256124 0.76 TSHR (0.43) L3MBTL1BCL2A1TSHRKEAP1NFE2L2
SCHEMBL3425497 0.75 SERPINE1 (0.45) L3MBTL1TP53POLBHDAC4HDAC6
SCHEMBL10489970 0.75 TP53 (0.42) L3MBTL1TSHRTP53RNF4TRPM8
SCHEMBL4838688 0.74 MLYCD (0.43) KEAP1NFE2L2POLBMAPTMLYCD

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-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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 (2 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 L3MBTL1 4147/4885BCL2A1 2275/4885TSHR 3312/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR L3MBTL1 4666/4885BCL2A1 2160/4885TSHR 3065/4885

“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.