SCHEMBL7866360

SCHEMBL7866360

CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C[C@H](NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ITGB1 P05556 4/20 0.38
ITGA4 P13612 4/20 0.38
ITGB7 P26010 3/20 0.38
CTSC P53634 1/20 0.37
TACR2 P21452 1/20 0.37
USP2 O75604 1/20 0.37
NAMPT P43490 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL2 P10415 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
SCHEMBL7873527 0.94 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AITGB1
SCHEMBL7873388 0.94 ITGB1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AITGB1
SCHEMBL298776 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL7871806 0.87 CTSC (0.46) ALDH1A1CTSLCTSBCTSC
SCHEMBL2892835 0.86 ITGB1 (0.41) ITGB1ITGA4ITGB7CTSCTACR2
SCHEMBL2892834 0.86 ITGB1 (0.41) ITGB1ITGA4ITGB7CTSCTACR2
SCHEMBL300141 0.86 ITGB1 (0.42) ITGB1ITGA4ITGB7CTSCBCL2
SCHEMBL300140 0.86 ITGB1 (0.42) ITGB1ITGA4ITGB7CTSCBCL2
SCHEMBL9888290 0.85 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AUSP2
SCHEMBL9886040 0.83 ITGA4 (0.38) ITGB1ITGA4ITGB7TACR2BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 US disclosed
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 US disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 WO disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 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-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 SMN1; SMN2 756/4885ALDH1A1 1256/4885MEN1 590/4885

“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.