SCHEMBL14009449

SCHEMBL14009449

CN(C(C)(C)C)S(=O)(=O)c1ccccc1CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.35
PNMT P11086 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR6 P50406 2/20 0.33
LOX P28300 1/20 0.33
CTSB P07858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.32
AOC3 Q16853 2/20 0.32

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
Hydrochloric Acid SCHEMBL4999737 0.98 LOXL2 (0.37) LOXL2PNMTALDH1A1HTTMEN1
SCHEMBL9269064 0.84 ALDH1A1 (0.49) LOXL2PNMTALDH1A1HTTPTGDR2
Hydrochloric Acid SCHEMBL1017753 0.82 ALDH1A1 (0.47) LOXL2PNMTALDH1A1HTTPTGDR2
SCHEMBL8251994 0.76 MEN1 (0.57) ALDH1A1HTTMEN1KMT2ATDP1
Trifluoroacetic Acid SCHEMBL5002726 0.75 PTGDR2 (0.41) ALDH1A1HTTTDP1L3MBTL1PTGDR2
Hydrochloric Acid SCHEMBL5003974 0.74 MEN1 (0.56) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL14009364 0.74 ALDH1A1 (0.39) LOXL2PNMTALDH1A1CA2L3MBTL1
SCHEMBL1146006 0.74 LOX (0.49) LOXL2PNMTMEN1KMT2ACYP1A2
SCHEMBL29792680 0.74 LOX (0.49) LOXL2PNMTMEN1KMT2ACYP1A2
SCHEMBL6680426 0.73 GAA (0.50) LOXL2PNMTMEN1KMT2ACA2

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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 LOXL2 1382/4885PNMT 2000/4885ALDH1A1 2963/4885

“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.