SCHEMBL3987832

SCHEMBL3987832

CC(C)N1CCC[C@H]1CCNC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PREP P48147 4/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL25174200 0.83 PREP (0.55) MEN1KMT2ALMNASMN1; SMN2PREP
SCHEMBL3977625 0.79 ABCB1 (0.51) MEN1KMT2ALMNASMN1; SMN2PREP
SCHEMBL13543157 0.78 ALDH1A1 (0.51) CHRM3MEN1KMT2APREPKEAP1
SCHEMBL13316344 0.78 ALDH1A1 (0.51) CHRM3MEN1KMT2APREPKEAP1
SCHEMBL3339396 0.77 PREP (0.49) MEN1KMT2ALMNASMN1; SMN2PREP
SCHEMBL3335378 0.77 PREP (0.49) MEN1KMT2ALMNASMN1; SMN2PREP
SCHEMBL22110281 0.77 SLC18A2 (0.43) CHRM3
SCHEMBL336728 0.76 PREP (0.46) MEN1KMT2APREPKEAP1NFE2L2
SCHEMBL337392 0.76 PREP (0.46) MEN1KMT2APREPKEAP1NFE2L2
SCHEMBL8396013 0.76 LMNA (0.60) MEN1KMT2ALMNASMN1; SMN2PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CHRM3 4823/4885MEN1 580/4885KMT2A 647/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CHRM3 4823/4885MEN1 580/4885KMT2A 647/4885

“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.